SCHEMBL2944116

SCHEMBL2944116

CCn1c(C)nc2sc3c(c2c1=O)CCCC3=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.52
KDM4E B2RXH2 3/20 0.52
GAA P10253 2/20 0.52
NPC1 O15118 1/20 0.52
POLB P06746 6/20 0.50
RECQL P46063 4/20 0.50
MAPT P10636 4/20 0.50
NPSR1 Q6W5P4 1/20 0.50
ATM Q13315 1/20 0.50
TDP1 Q9NUW8 4/20 0.46
NR4A1 P22736 2/20 0.46
PTPN7 P35236 2/20 0.46
APEX1 P27695 1/20 0.46
APOBEC3A P31941 1/20 0.46
APOBEC3G Q9HC16 1/20 0.46
L3MBTL1 Q9Y468 3/20 0.44
BCL2L1 Q07817 1/20 0.44
MCL1 Q07820 1/20 0.44
HIF1A Q16665 1/20 0.44
MAPK1 P28482 2/20 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
SCHEMBL2952407 0.82 ALDH1A1 (0.55) ALDH1A1KDM4EGAANPC1POLB
SCHEMBL13154703 0.76 ALDH1A1 (0.53) ALDH1A1KDM4EGAANPC1POLB
SCHEMBL13237281 0.76 ALDH1A1 (0.55) ALDH1A1KDM4EGAANPC1POLB
SCHEMBL2923717 0.75 POLB (0.56) ALDH1A1KDM4EGAANPC1POLB
SCHEMBL2923115 0.72 ALDH1A1 (0.50) ALDH1A1KDM4EGAANPC1MAPT
SCHEMBL2922258 0.72 POLB (0.53) ALDH1A1KDM4EGAANPC1POLB
SCHEMBL2950722 0.70 ALDH1A1 (0.90) ALDH1A1KDM4EGAANPC1POLB
SCHEMBL2924151 0.70 CDKN1A (0.43) ALDH1A1KDM4EGAANPC1POLB
SCHEMBL2918071 0.70 ALDH1A1 (0.51) ALDH1A1KDM4EGAANPC1MAPT
SCHEMBL13154701 0.69 ALDH1A1 (0.97) ALDH1A1KDM4EGAANPC1POLB

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1635840-B1 THIOPHENEPYRIMIDINONES AS 17-BETA-HYDROXYSTEROID DEHYDROGENASE INHIBITORS SOLVAY PHARM BV (NL) 2008-07-23 EP claimed
US-20080103131-A1 Therapeutically Active Thiophenepyrimidinone Compounds and Their Use SOLVAY PHARMACEUTICALS B.V. (NL) 2008-05-01 US claimed
US-20050032778-A1 Therapeutically active thiophenepyrimidinone compounds and their use SOLVAY PHARMACEUTICALS B.V. (NL) 2005-02-10 US claimed
US-20100249106-A1 Methods of Making and Using Therapeutically Active Thiophenepyrimidinone Compounds SOLVAY PHARMACEUTICALS B.V. (NL) 2010-09-30 US disclosed
US-7754709-B2 Tetracyclic thiophenepyrimidinone compounds as inhibitors of 17β hydroxysteroid dehydrogenase compounds SOLVAY PHARMACEUTICALS BV (NL) 2010-07-13 US disclosed
US-20080103131-A1 Therapeutically Active Thiophenepyrimidinone Compounds and Their Use SOLVAY PHARMACEUTICALS B.V. (NL) 2008-05-01 US disclosed
EP-1635840-A1 THIOPHENEPYRIMIDINONES AS 17-BETA-HYDROXYSTEROID DEHYDROGENASE INHIBITORS Solvay Pharmaceuticals B.V. (NL) 2006-03-22 EP disclosed
US-20050032778-A1 Therapeutically active thiophenepyrimidinone compounds and their use SOLVAY PHARMACEUTICALS B.V. (NL) 2005-02-10 US disclosed
WO-2004110459-A1 THIOPHENEPYRIMIDINONES AS 17-BETA-HYDROXYSTEROID DEHYDROGENASE INHIBITORS SOLVAY PHARMACEUTICALS B.V. (NL) 2004-12-23 WO 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 (3 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-20050032778-A1 Therapeutically active thiophenepyrimidinone compounds and their use HSD17B1, HSD17B3, HSD17B2 ALDH1A1 133/4885KDM4E 2887/4885GAA 722/4885
US-20100249106-A1 Methods of Making and Using Therapeutically Active Thiophenepyrimidinone Compounds HSD17B3, HSD17B1, HSD17B2 ALDH1A1 139/4885KDM4E 2267/4885GAA 1038/4885
US-20080103131-A1 Therapeutically Active Thiophenepyrimidinone Compounds and Their Use HSD17B1, HSD17B3, HSD17B2 ALDH1A1 133/4885KDM4E 2887/4885GAA 722/4885

“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.