(in progress :) The popular ACS First Disclosure sessions have been blogged about here before, for example most of the 2022 compounds were curated into GtoPdb. From the stringent curation standards this database is renown for, GtoPdb does not typically process entries without a citable publication with explicit in vitro activity data. However,
The MedChemica team announced yesterday on LinkedIN (23/6/25) the 1st patent for their ASAP consortium WO2025125695 with the somewhat cryptic title "CHEMICAL COMPOUNDS ID50000167790940 P. DOC 2025-05-07 FILING NO.:19".
Updates July 2025 Minor changes but good news in that SureChEMBL 2.0 (bless 'em) now appears to be updating in PubChem more often and just broke 30 million :) In turn, this brings the total CNER submissions up to 47.7 million and, more importantly, the corroborative intersect between the big three active submitters to 9.7 million up from 9.04 back in March :).
Welcome to those of you who arrived here via the NAR 2025 Database issue link or the QR code from our Pharmacology 2024 poster. This blog post has been expanded post-meeting to include more details, background information
This blog post is in lieu of a poster abstract submitted to the ChEMBL15 symposium in Hinxton, Oct 2024, pasted below (post to be extended after the meeting :)
So what patents are most valuable to curate for open database users? As context for this post for some years I have been advising both BindingDB (being on their SAB) and in my collaborative capacity as an Honorary Fellow with the Edinburgh Guide to Pharmacolog team on medicinal chemistry patent selection and curation.
This post about chemistry-to-protein relationship mappings has been forked from my April 2024 BioIT Boston presentation " Caveat Usor: Data and Annotation Differences between Drug Target Resources ". Here I will look at BACE1 chemistry mappings across key public resources.
Update 30 Aug 2025 Pleased to see that this post accrued over 2.7K impressions (hopefully mostly non-bot) according to Blogger. While its is useful for this research compound to finally get an INN and USAN as Rentosertib in the intervening year or so, it has also accumulated a rather bad case of "synonym spaghetti" as we ca see below;
One of the bits of good news to kick off this year was the announcement that the FDA approved no less than 55 novel therapeutics in 2023, the second highest count in the past 30 years. As ever there has been a lot of punditry around these including the NRDD listing and availability of 8 of the 34 small-molecules in the Cambridge Structural Database.
One of my few "nerdy" proclivities is the occasional checking of the PubChem Data Sources updates just to see what's new, the Friday 17th Nov 20203 version of which is shown below. Note that while most are genuine updates of SID content some reflect only internally changed assignment indexing rather than de novo additions.
A paper back in the summer "Deep learning-guided discovery of an antibiotic targeting Acinetobacter baumannii" has generated a lot of media interest (PMID37231267 with Guardian version below) Context to this post is given below in the brief repartee between the poster and yours truly As a first-stop shop we find a range of