SCHEMBL7840962

SCHEMBL7840962

CS(=O)(=O)c1ccccc1-c1nc(COCc2ccc3ccccc3n2)sc1-c1ccc(F)cc1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 11/20 0.45
PDE10A Q9Y233 8/20 0.43
PTGS1 P23219 2/20 0.43
HTR2B P41595 1/20 0.40
ALOX5 P09917 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
SCHEMBL7832794 0.93 PDE10A (0.46) PTGS2PDE10APTGS1HTR2BALOX5
SCHEMBL7840958 0.87 PTGS2 (0.61) PTGS2PTGS1
SCHEMBL7832791 0.87 PTGS2 (0.61) PTGS2PTGS1
SCHEMBL7844215 0.86 PTGS2 (0.55) PTGS2PTGS1ALOX5
SCHEMBL7832909 0.84 PTGS2 (0.48) PTGS2PTGS1ALOX5
SCHEMBL7846952 0.82 PTGS2 (0.53) PTGS2PTGS1ALOX5
SCHEMBL7842885 0.81 PTGS2 (0.59) PTGS2PDE10APTGS1
SCHEMBL7844193 0.81 PTGS2 (0.59) PTGS2PDE10APTGS1
SCHEMBL7843555 0.81 PTGS2 (0.51) PTGS2PDE10APTGS1ALOX5
SCHEMBL7840138 0.80 PTGS2 (0.53) PTGS2PTGS1ALOX5

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