SCHEMBL7841914

SCHEMBL7841914

Cc1csc(-c2nc(-c3ccccc3Cl)sc2-c2ccccc2S(C)(=O)=O)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.55
PTGS1 P23219 2/20 0.46
HSD11B1 P28845 1/20 0.43
L3MBTL1 Q9Y468 3/20 0.38
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 2/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
RXFP1 Q9HBX9 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA3 P07451 1/20 0.34
CA6 P23280 1/20 0.34
CA5A P35218 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA5B Q9Y2D0 1/20 0.34
KMT2A Q03164 2/20 0.34
MAPT P10636 2/20 0.34

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
SCHEMBL7844308 0.92 PTGS2 (0.53) PTGS2PTGS1HSD11B1L3MBTL1ALDH1A1
SCHEMBL7844775 0.84 PTGS2 (0.74) PTGS2PTGS1HSD11B1L3MBTL1ALDH1A1
SCHEMBL7843832 0.84 PTGS2 (0.59) PTGS2PTGS1HSD11B1L3MBTL1ALDH1A1
SCHEMBL7840911 0.82 PTGS2 (0.65) PTGS2PTGS1HSD11B1L3MBTL1ALDH1A1
SCHEMBL7833088 0.82 PTGS2 (0.55) PTGS2PTGS1HSD11B1L3MBTL1ALDH1A1
SCHEMBL7844755 0.81 PTGS2 (0.72) PTGS2PTGS1HSD11B1L3MBTL1ALDH1A1
SCHEMBL7844544 0.81 PTGS2 (0.45) PTGS2PTGS1L3MBTL1ALDH1A1KDM4E
SCHEMBL7843804 0.81 PTGS2 (0.65) PTGS2PTGS1CA12CA1CA2
SCHEMBL7841008 0.80 PTGS2 (0.59) PTGS2PTGS1L3MBTL1ALDH1A1KDM4E
SCHEMBL7842503 0.80 PTGS2 (0.58) PTGS2PTGS1HSD11B1L3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1125932-A2 Substituted thiazoles for the treatment of inflammation G.D. SEARLE & CO. (US) 2001-08-22 EP disclosed
US-5668161-A Substituted thiazoles for the treatment of inflammation G.D. SEARLE & CO. (US) 1997-09-16 US disclosed
EP-0772606-A1 SUBSTITUTED THIAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1997-05-14 EP disclosed
WO-1996003392-A1 SUBSTITUTED THIAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-02-08 WO disclosed