SCHEMBL3850384

SCHEMBL3850384

CS(=O)(=O)OCc1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.50
ENPP2 Q13822 2/20 0.50
CA2 P00918 7/20 0.48
CA9 Q16790 4/20 0.48
CA1 P00915 5/20 0.46
CA12 O43570 1/20 0.42
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
KMT2A Q03164 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4952656 0.89 CA2 (0.58) PTGS2CA2CA9CA1CA12
SCHEMBL19845815 0.83 CA2 (0.52) PTGS2CA2CA9CA1CA12
SCHEMBL4662063 0.81 CA2 (0.50) CA2CA9CA1KMT2A
SCHEMBL5522736 0.81 PTGS2 (0.70) PTGS2ENPP2CA2CA9CA1
SCHEMBL18030113 0.81 CA2 (0.68) CA2CA9CA1KMT2A
SCHEMBL6480783 0.79 CA12 (0.68) PTGS2ENPP2CA2CA9CA1
SCHEMBL5697498 0.79 KMT2A (0.49) CA2CA9CA1KMT2A
SCHEMBL22211333 0.79 CA2 (0.48) PTGS2CA2CA9CA1CA12
SCHEMBL22862366 0.79 CA2 (0.48) CA2CA9CA1
SCHEMBL780272 0.79 CA2 (0.48) CA2CA9CA1CA12KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109563043-B Substituted pyridines as inhibitors of DNMT1 葛兰素史密斯克莱知识产权发展有限公司 2022-05-31 CN disclosed
US-10975056-B2 Substituted pyridines as inhibitors of DNMT1 GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-04-13 US disclosed
US-20190194166-A1 SUBSTITUTED PYRIDINES AS INHIBITORS OF DNMT1 GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-06-27 US disclosed
EP-3468953-A1 SUBSTITUTED PYRIDINES AS INHIBITORS OF DNMT1 GlaxoSmithKline Intellectual Property Development Limited (GB) 2019-04-17 EP disclosed
CN-109563043-A SUBSTITUTED PYRIDINES AS INHIBITORS OF DNMT1 葛兰素史密斯克莱知识产权发展有限公司 2019-04-02 CN disclosed
WO-2017216726-A1 SUBSTITUTED PYRIDINES AS INHIBITORS OF DNMT1 GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-12-21 WO disclosed
WO-2017216726-A1 SUBSTITUTED PYRIDINES AS INHIBITORS OF DNMT1 GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-12-21 WO disclosed
WO-2017216727-A1 SUBSTITUTED PYRIDINES AS INHIBITORS OF DNMT1 GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-12-21 WO disclosed
WO-2017216727-A1 SUBSTITUTED PYRIDINES AS INHIBITORS OF DNMT1 GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-12-21 WO disclosed
EP-2048142-A2 Nitrogen-containing condensed cyclic compound having a pyrazolyl group as a substituent group and pharmaceutical composition thereof Eisai R&D Management Co., Ltd. (JP) 2009-04-15 EP disclosed
EP-1382603-B1 NITROGENOUS FUSED-RING COMPOUND HAVING PYRAZOLYL GROUP AS SUBSTITUENT AND MEDICINAL COMPOSITION THEREOF EISAI R&D MAN CO LTD (JP) 2008-07-23 EP disclosed
US-7074801-B1 Nitrogen-containing condensed cyclic compound having a pyrazolyl group as a substituent group and pharmaceutical composition thereof EISAI CO., LTD. (JP) 2006-07-11 US disclosed
EP-1382603-A1 NITROGENOUS FUSED−RING COMPOUND HAVING PYRAZOLYL GROUP AS SUBSTITUENT AND MEDICINAL COMPOSITION THEREOF Eisai Co., Ltd. (JP) 2004-01-21 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10975056-B2 Substituted pyridines as inhibitors of DNMT1 DNMT1, DNMT3A, DNMT3B PTGS2 4264/4885ENPP2 3846/4885CA2 3382/4885
US-20190194166-A1 SUBSTITUTED PYRIDINES AS INHIBITORS OF DNMT1 DNMT1, DNMT3A, DNMT3B PTGS2 4264/4885ENPP2 3846/4885CA2 3382/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.