SCHEMBL7844586

SCHEMBL7844586

CS(=O)(=O)c1ccccc1-c1nc(COc2ccc(Cl)cc2)sc1-c1ccc(F)cc1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 11/20 0.53
PTGS1 P23219 3/20 0.53
PPARD Q03181 6/20 0.47
PTGDR2 Q9Y5Y4 1/20 0.44
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL7843555 0.95 PTGS2 (0.51) PTGS2PTGS1PPARDRAB9ANPC1
SCHEMBL7833513 0.92 PTGS2 (0.53) PTGS2PTGS1PPARDPTGDR2RAB9A
SCHEMBL7840138 0.92 PTGS2 (0.53) PTGS2PTGS1PPARDRAB9ANPC1
SCHEMBL7842600 0.91 PTGS2 (0.65) PTGS2PTGS1PPARD
SCHEMBL7840172 0.91 PTGS2 (0.48) PTGS2PTGS1PPARDRAB9ANPC1
SCHEMBL7832707 0.90 PTGS2 (0.49) PTGS2PTGS1PPARDRAB9ANPC1
SCHEMBL7842015 0.90 PTGS2 (0.55) PTGS2PTGS1PPARDRAB9AKMT2A
SCHEMBL7843434 0.88 PTGS2 (0.52) PTGS2PTGS1PPARD
SCHEMBL7841302 0.87 PTGS2 (0.51) PTGS2PTGS1PPARDRAB9ANPC1
SCHEMBL7845379 0.86 PTGS2 (0.48) PTGS2PTGS1PPARD

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