SCHEMBL7842487

SCHEMBL7842487

CS(=O)(=O)c1ccc(-c2nc(NC(=O)Cc3cccc(Cl)c3)sc2-c2ccc(F)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.55
RORC P51449 7/20 0.55
CSNK1D P48730 2/20 0.52
PTGS1 P23219 1/20 0.52
ROCK2 O75116 1/20 0.49
PI4KB Q9UBF8 1/20 0.49

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
SCHEMBL7846567 0.92 RORC (0.57) PTGS2RORCPTGS1ROCK2PI4KB
SCHEMBL7843818 0.89 RORC (0.68) PTGS2RORCPTGS1PI4KB
SCHEMBL7846410 0.89 RORC (0.68) PTGS2RORCPTGS1PI4KB
SCHEMBL7842490 0.87 RORC (0.53) RORCCSNK1DPI4KB
SCHEMBL7842692 0.84 KMT2A (0.60) PTGS2PTGS1
SCHEMBL7842452 0.84 KMT2A (0.60) PTGS2PTGS1
SCHEMBL7844808 0.81 PTGS2 (0.56) PTGS2PTGS1
SCHEMBL7843264 0.81 PTGS2 (0.56) PTGS2PTGS1
SCHEMBL7844179 0.79 RORC (0.66) PTGS2RORCPTGS1PI4KB
SCHEMBL7843108 0.79 RORC (0.66) PTGS2RORCPTGS1PI4KB

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