SCHEMBL955246

SCHEMBL955246

CN(c1ccc(CN)cc1)S(C)(=O)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSIP1 O75475 1/20 0.47
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA12 O43570 1/20 0.45
CA4 P22748 1/20 0.45
CA6 P23280 1/20 0.45
CA5A P35218 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45
CA5B Q9Y2D0 1/20 0.45
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 5/20 0.43
KDM4E B2RXH2 3/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
ALDH1A1 P00352 2/20 0.43
GALR3 O60755 1/20 0.43

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
SCHEMBL1291337 0.82 ALDH1A1 (0.47) MAPTSMN1; SMN2MEN1KMT2ANPC1
SCHEMBL14668531 0.82 RAB9A (0.48) CA2MAPTSMN1; SMN2KDM4EMEN1
SCHEMBL5120910 0.82 SMN1; SMN2 (0.44) MAPTSMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL9464684 0.80 SMN1; SMN2 (0.43) MAPTSMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL31402193 0.80 SMN1; SMN2 (0.47) CA1CA2CA12CA4CA6
SCHEMBL10413567 0.80 SMN1; SMN2 (0.43) MAPTSMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL7453984 0.80 SMN1; SMN2 (0.47) MAPTSMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL11617729 0.79 SMN1; SMN2 (0.50) CA1CA2CA12CA4CA9
SCHEMBL27778615 0.79 PSIP1 (0.43) PSIP1CA1CA2CA12CA4
SCHEMBL12678495 0.78 RAB9A (0.56) CA2MAPTSMN1; SMN2KDM4EMEN1

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 52 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8729089-B2 Pyrido(3,2-d)pyrimidines useful for treating viral infections GILEAD SCIENCES, INC. (US) 2014-05-20 US claimed
US-20080182870-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-07-31 US claimed
CN-104583255-B Antifouling paint compositions PPG涂料欧洲有限责任公司 2017-11-14 CN disclosed
CN-106795381-A Erodible antifouling paint composition PPG涂料欧洲有限责任公司 2017-05-31 CN disclosed
CN-106133027-A Coating composition PPG涂料欧洲有限责任公司 2016-11-16 CN disclosed
EP-1845973-B1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LTD (GB) 2015-08-12 EP disclosed
US-9051278-B2 3,4-disubstituted 1H-pyrazole compounds and their use as cyclin dependent kinase and glycogen synthase kinase-3 modulators ASTEX THERAPEUTICS, LTD. (GB) 2015-06-09 US disclosed
EP-2256106-B1 3,4-disubstituted 1H-pyrazole compounds and their use as cyclin dependent kinases (CDK) and glycogen synthase kinase-3 (GSK-3) modulators ASTEX THERAPEUTICS LTD (GB) 2015-05-06 EP disclosed
CN-104583255-A Antifouling coating composition PPG COATINGS EUROP B V 2015-04-29 CN disclosed
US-20140371213-A1 3,4-DISUBSTITUTED 1H-PYRAZOLE COMPOUNDS AND THEIR USE AS CYCLIN DEPENDENT KINASE AND GLYCOGEN SYNTHASE KINASE-3 MODULATORS ASTEX THERAPEUTICS, LTD. (GB) 2014-12-18 US disclosed
US-8779147-B2 3,4-disubstituted 1H-pyrazole compounds and their use as cyclin dependent kinase and glycogen synthase kinase-3 modulators ASTEX THERAPEUTICS, LTD. (GB) 2014-07-15 US disclosed
CN-1784478-A Silyl esters, their use in binder systems and coating compositions and process for their production SIGMAKALON B V (NL) 2006-06-07 CN disclosed
EP-1651612-A1 3,4-DISUBSTITUTED 1H-PYRAZOLE COMPOUNDS AND THEIR USE AS CYCLIN DEPENDENT KINASES (CDK) AND GLYCOGEN SYNTHASE KINASE-3 (GSK-3) MODULATORS Astex Therapeutics Limited (GB) 2006-05-03 EP disclosed
CN-1618905-A Improved marine paint compositions SIGMA COATINGS BV (NL) 2005-05-25 CN disclosed
WO-2005012256-A1 3, 4-DISUBSTITUTED 1H-PYRAZOLE COMPOUNDS AND THEIR USE AS CYCLIN DEPENDENT KINASES (CDK) AND GLYCOGEN SYNTHASE KINASE-3 (GSK-3) MODULATORS ASTEX THERAPEUTICS LIMITED (GB) 2005-02-10 WO disclosed
CN-1578816-A Paint compositions comprising esters of rosin and methods for producing the same SIGMA COATINGS BV (NL) 2005-02-09 CN disclosed
CN-1549832-A Binders with low content in hydrolysable monomer suitable for self-polishing antifouling paints 西格马涂料有限公司 2004-11-24 CN disclosed
CN-1174056-C Improved marine paint composition 2004-11-03 CN disclosed
CN-1418228-A Metal-free binders for self-polishing antifouling paints SIGMA COATINGS BV (NL) 2003-05-14 CN disclosed
CN-1418244-A Improved marine paint composition SIGMA COATINGS BV (NL) 2003-05-14 CN 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-20140371213-A1 3,4-DISUBSTITUTED 1H-PYRAZOLE COMPOUNDS AND THEIR USE AS CYCLIN DEPENDENT KINASE AND GLYCOGEN SYNTHASE KINASE-3 MODULATORS CDK1, CDK3, CDK13 PSIP1 2424/4885CA1 1079/4885CA2 1443/4885
US-20080182870-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS PNPO, DPYD, PNP PSIP1 1173/4885CA1 4802/4885CA2 4444/4885

“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.