SCHEMBL6180483

SCHEMBL6180483

CS(=O)(=O)c1ccc(-c2[nH]nc(C(F)(F)F)c2-c2ccc(F)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 18/20 0.53
PTGS1 P23219 3/20 0.50
ALDH1A1 P00352 1/20 0.48
ALOX5 P09917 1/20 0.48
CSNK1A1 P48729 1/20 0.48
CSNK1D P48730 1/20 0.48
CSNK1E P49674 1/20 0.48
MAPK11 Q15759 1/20 0.48
MAPK14 Q16539 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CSNK1A1L Q8N752 1/20 0.48

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
SCHEMBL5078441 1.00 PTGS2 (0.53) PTGS2PTGS1ALDH1A1ALOX5CSNK1A1
SCHEMBL4212020 0.99 PTGS2 (0.52) PTGS2PTGS1ALDH1A1ALOX5CSNK1A1
SCHEMBL8766048 0.89 PTGS2 (0.53) PTGS2PTGS1
SCHEMBL5141392 0.88 PTGS2 (0.60) PTGS2PTGS1
SCHEMBL8926255 0.85 PSD (0.47) PTGS2ALDH1A1
SCHEMBL8925320 0.85 PTGS2 (0.47) PTGS2PTGS1
SCHEMBL8640384 0.83 PTGS2 (0.45) PTGS2PTGS1
SCHEMBL7539198 0.82 PTGS2 (0.56) PTGS2PTGS1
SCHEMBL6620090 0.82 PTGS2 (0.56) PTGS2PTGS1
SCHEMBL8196144 0.81 CA2 (0.38) PTGS2PTGS1ALDH1A1MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1501805-A1 SUBSTITUTED PYRAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION Pharmacia Corporation (US) 2005-02-02 EP disclosed
EP-1478357-A2 TRICYCLIC PYRAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR AGENTS Pharmacia Italia S.p.A. (IT) 2004-11-24 EP disclosed
EP-1476431-A1 TRICYCLIC PYRAZOLE DERIVATIVES FOR THE TREATMENT OF INFLAMMATION Pharmacia Corporation (US) 2004-11-17 EP disclosed
EP-1444207-A2 SUBSTITUTED PYRAZOLYL-COMPOUNDS FOR THE TREATMENT OF INFLAMMATION Pharmacia Corporation (US) 2004-08-11 EP disclosed
EP-1438293-A2 SUBSTITUTED PYRAZOLYL BENZENESULFAMIDE COMPOUNDS FOR THE TREATMENT OF INFLAMMATION Pharmacia Corporation (US) 2004-07-21 EP disclosed
WO-2003095430-A1 SUBSTITUTED PYRAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION PHARMACIA CORPORATION (US) 2003-11-20 WO disclosed
WO-2003070706-A1 TRICYCLIC PYRAZOLE DERIVATIVES FOR THE TREATMENT OF INFLAMMATION PHARMACIA CORPORATION (US) 2003-08-28 WO disclosed
WO-2003070236-A2 TRICYCLIC PYRAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA ITALIA S.P.A. (IT) 2003-08-28 WO disclosed
WO-2003027075-A2 SUBSTITUTED PYRAZOLYL BENZENESULFAMIDE COMPOUNDS FOR THE TREATMENT OF INFLAMMATION PHARMACIA CORPORATION (US) 2003-04-03 WO disclosed
WO-2003024935-A2 SUBSTITUTED PYRAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION PHARMACIA CORPORATION (US) 2003-03-27 WO disclosed
WO-1997011704-A1 SUBSTITUTED PYRAZOLYL BENZENESULFONAMIDES FOR USE IN VETERINARY THERAPIES AS ANTIINFLAMMATORY AGENTS G.D. SEARLE & CO. (US) 1997-04-03 WO disclosed
EP-0731793-A1 1,5-DIPHENYL PYRAZOLE COMPOUNDS FOR TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-09-18 EP disclosed
WO-1995015315-A1 1,5-DIPHENYL PYRAZOLE COMPOUNDS FOR TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1995-06-08 WO disclosed