SCHEMBL8801720

SCHEMBL8801720

CS(=O)(=O)c1ccccc1-c1sc(COc2ccc(Cl)cc2)nc1-c1ccccc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.41
PPARD Q03181 4/20 0.41
PTGS1 P23219 1/20 0.39
FFAR1 O14842 1/20 0.39
ALOX5 P09917 1/20 0.38
EPHX2 P34913 1/20 0.38
RAB9A P51151 4/20 0.38
NPC1 O15118 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GRM5 P41594 1/20 0.37
MAPT P10636 2/20 0.37
GAA P10253 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
KMT2A Q03164 1/20 0.36

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
SCHEMBL7844231 0.91 MAPT (0.43) PTGS2PPARDFFAR1RAB9ANPC1
SCHEMBL7843368 0.89 PTGS2 (0.42) PTGS2PTGDR2PPARDPTGS1FFAR1
SCHEMBL7833513 0.88 PTGS2 (0.53) PTGS2PTGDR2PPARDPTGS1ALOX5
SCHEMBL7844586 0.86 PTGS2 (0.53) PTGS2PTGDR2PPARDPTGS1RAB9A
SCHEMBL7841302 0.82 PTGS2 (0.51) PTGS2PPARDPTGS1ALOX5RAB9A
SCHEMBL7843555 0.81 PTGS2 (0.51) PTGS2PPARDPTGS1ALOX5RAB9A
SCHEMBL6246548 0.80 PTGS2 (0.65) PTGS2PPARDPTGS1ALOX5
SCHEMBL7844271 0.80 PTGS2 (0.53) PTGS2PPARDPTGS1ALOX5RAB9A
SCHEMBL7842156 0.79 PTGS2 (0.48) PTGS2PPARDPTGS1ALOX5RAB9A
SCHEMBL7845661 0.78 PTGS2 (0.49) PTGS2PPARDPTGS1ALOX5RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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