SCHEMBL7842701

SCHEMBL7842701

COc1ccc(-c2nc(-c3ccccc3Cl)sc2-c2ccccc2S(C)(=O)=O)cc1Cl

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 16/20 0.59
PTGS1 P23219 3/20 0.48
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
HSD11B1 P28845 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL7844794 0.92 PTGS2 (0.57) PTGS2PTGS1ADORA2AADORA1HSD11B1
SCHEMBL7840385 0.91 PTGS2 (0.72) PTGS2PTGS1
SCHEMBL7842700 0.88 PTGS2 (0.73) PTGS2PTGS1
SCHEMBL7842839 0.88 PTGS2 (0.54) PTGS2PTGS1HSD11B1L3MBTL1ALDH1A1
SCHEMBL7842503 0.86 PTGS2 (0.58) PTGS2PTGS1HSD11B1L3MBTL1ALDH1A1
SCHEMBL7842211 0.86 PTGS2 (0.64) PTGS2PTGS1HSD11B1L3MBTL1MEN1
SCHEMBL7844790 0.86 PTGS2 (0.73) PTGS2PTGS1
SCHEMBL7847356 0.84 PTGS2 (0.58) PTGS2PTGS1HSD11B1L3MBTL1ALDH1A1
SCHEMBL7845047 0.84 PTGS2 (0.66) PTGS2PTGS1HSD11B1L3MBTL1MEN1
SCHEMBL7844755 0.84 PTGS2 (0.72) PTGS2PTGS1HSD11B1L3MBTL1MEN1

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