The Korean medicinal chemists that feature in the In The Pipeline “Oops we didn’t mean to publish that” posting could be forgiven for feeling a little hapless in the face of this exposure of the interesting results published in their paper and patents.
This post was inspired by the following conjunctions: 1) The BBC Radio 4 Today slot about the GSK transparency on clinical trials. 2) A new publication on Open data for drug discovery: learning from the biological community has appeared from ChEMBL and GSK authors.
Update SureChem slides from ICIC 2012 now posted. This current analysis is a prelude to a presentation that will be given by SureChem at the ICIC meeting in a couple of days time (Wed 17th am). I shall pick up some themes from this retrospectively, including a close look at the SureChem deposited PubChem content, in due course. For now, I can show some approaches I have applied to pre-existing content.
The devil is, as they say, in the details. I enjoy ferreting out interesting cases, so here is the story of what could be termed "noise in the system" for the compound alluded to in "Asymmetric synthesis of a potent, aminopiperidine-fused imidazopyridine dipeptidyl peptidase IV inhibitor"
Update, 29 Sept: A new BioStar posting now informs that the genome and proteome are available directly from the GigaScience website that also includes BLAST and download options. Just for the record, we agree (or probably both used GENESCAN) 100% on the BACE-like homologoue they have as OYG_10007802.
Any way you look at, it the progress of PubChem over the last 8 years has been impressive and many biological chemistry domains have been transformed as a consequence. Much credit is thus due to the NCBI team (some of whom it has been my pleasure to have a beer with).
Update, December, we have a paper out on the results. The collaboration between the MRC and AstraZeneca to give UK academic researchers access to development compounds has been acknowledged as a precedent for the compilation of the analogous NCATS 58-set from multiple companies. A snapshot of the MRC list of 22 is shown below.
Update: two comments below the post. Since I have been helping out with database searches for the OSDD antimalarial work in Sydney I was interested to see that recent press releases concerning MMV390048 had been picked up at In the Pipeline.
Update: 30 Sept 2016 Goodness, those mid-90's GSK/HGS fruits of genomics were not even slow to fall but have just withered on the vine.... Now it's the turn of CATK to tank a couple of years after Lp-PLA2 (see post below). There is more on the CATK failure over at The Pipeline but there is only BACE1 (or ASP2 as we called it back them) left now. *********************************************** 3rd Sept 2014.
Well, would you Adam ’n Eve it ? Hot on the heels of the SureChem announcement of their pending big PubChem submission for 4Q, 12 million searchable structures in SureChemOpen, and 0.28 million fresh links from chemcalize.org (more on that in a subsequent post)
A number of things came into conjunction recently that inspired me to embark on my first WikiGenes edit, including the fact it was now being included as a cross-reference in key resources such as Wikipedia, HGNC and iHOP (maybe UniProt next ?). I have no inclination to check and/or contribute to all the protein records I have had some engagement with, but the choice for my first effort was LACTB .