SCHEMBL7844796

SCHEMBL7844796

COc1c(F)cc(-c2nc(-c3ccccc3Cl)sc2-c2ccccc2S(C)(=O)=O)cc1F

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 12/20 0.56
PTGS1 P23219 2/20 0.52
HSD11B1 P28845 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
ALOX5AP P20292 2/20 0.37
FEN1 P39748 2/20 0.37
PDGFRB P09619 1/20 0.37
PTK2 Q05397 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
RXFP1 Q9HBX9 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
SCHEMBL7833314 0.92 PTGS2 (0.59) PTGS2PTGS1HSD11B1L3MBTL1ALOX5AP
SCHEMBL7842839 0.91 PTGS2 (0.54) PTGS2PTGS1HSD11B1L3MBTL1PDGFRB
SCHEMBL7840385 0.88 PTGS2 (0.72) PTGS2PTGS1
SCHEMBL7844793 0.87 PTGS2 (0.73) PTGS2PTGS1
SCHEMBL7833311 0.85 PTGS2 (0.73) PTGS2PTGS1
SCHEMBL7842211 0.83 PTGS2 (0.64) PTGS2PTGS1HSD11B1L3MBTL1KDM4E
SCHEMBL7833474 0.83 PTGS2 (0.76) PTGS2PTGS1
SCHEMBL7842585 0.83 PTGS2 (0.72) PTGS2PTGS1HSD11B1L3MBTL1KDM4E
SCHEMBL7842701 0.83 PTGS2 (0.59) PTGS2PTGS1HSD11B1L3MBTL1ALDH1A1
SCHEMBL7844755 0.83 PTGS2 (0.72) PTGS2PTGS1HSD11B1L3MBTL1KDM4E

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