SCHEMBL7846615

SCHEMBL7846615

COc1ccc(-c2sc(-c3csc(C)n3)nc2-c2ccc(S(C)(=O)=O)cc2)cc1F

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 16/20 0.55
PTGS1 P23219 2/20 0.55
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAPK14 Q16539 2/20 0.43

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
SCHEMBL7846616 0.85 PTGS2 (0.49) PTGS2PTGS1MEN1NPC1ALDH1A1
SCHEMBL5698728 0.85 PTGS2 (0.74) PTGS2PTGS1
SCHEMBL7832753 0.84 PTGS2 (0.68) PTGS2PTGS1
SCHEMBL7843990 0.80 PTGS2 (0.66) PTGS2PTGS1MAPK14
SCHEMBL7841923 0.79 PTGS2 (0.78) PTGS2PTGS1
SCHEMBL7840379 0.75 PTGS2 (0.84) PTGS2PTGS1
SCHEMBL13367649 0.75 ALDH1A1 (0.74) MEN1NPC1ALDH1A1RAB9AKMT2A
SCHEMBL7844118 0.74 PTGS2 (0.59) PTGS2PTGS1MEN1KMT2ASMN1; SMN2
SCHEMBL7841871 0.71 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL8055958 0.71 PTGS2 (0.78) PTGS2PTGS1

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 3 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
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