SCHEMBL8637878

SCHEMBL8637878

CS(=O)(=O)c1ccc(-n2nc(C(F)(F)C(F)(F)F)cc2-c2ccc(Cl)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 15/20 0.65
PTGS1 P23219 6/20 0.65
CYP2C9 P11712 2/20 0.65
PDPK1 O15530 2/20 0.63
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
TSHR P16473 1/20 0.56
CYP2C19 P33261 1/20 0.56
THPO P40225 1/20 0.56
BLM P54132 1/20 0.56
PMP22 Q01453 1/20 0.56
HIF1A Q16665 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56

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
SCHEMBL8635909 0.93 PTGS2 (0.63) PTGS2PTGS1CYP2C9PDPK1CYP1A2
SCHEMBL8635490 0.90 PTGS2 (0.80) PTGS2PTGS1CYP2C9PDPK1CYP1A2
SCHEMBL8953923 0.90 PTGS2 (0.80) PTGS2PTGS1CYP2C9PDPK1CYP1A2
SCHEMBL9003005 0.89 PTGS2 (0.67) PTGS2PTGS1CYP2C9PDPK1CYP1A2
SCHEMBL9003046 0.89 PTGS2 (0.82) PTGS2PTGS1CYP2C9
SCHEMBL3243753 0.88 PTGS2 (0.82) PTGS2PTGS1CYP2C9PDPK1CYP3A4
SCHEMBL9003244 0.88 PTGS2 (0.65) PTGS2PTGS1CYP2C9PDPK1CYP3A4
SCHEMBL8635653 0.88 PTGS2 (0.82) PTGS2PTGS1CYP2C9PDPK1CYP3A4
SCHEMBL9257388 0.88 PTGS2 (0.81) PTGS2PTGS1CYP2C9PDPK1
SCHEMBL9002595 0.82 PTGS2 (0.78) PTGS2PTGS1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0731793-A1 1,5-DIPHENYL PYRAZOLE COMPOUNDS FOR TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-09-18 EP claimed
WO-1995015315-A1 1,5-DIPHENYL PYRAZOLE COMPOUNDS FOR TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1995-06-08 WO claimed
EP-0830133-A1 THERAPEUTIC COMPOSITION FOR ARTHRITIS Takeda Chemical Industries, Ltd. (JP) 1998-03-25 EP disclosed
WO-1996033717-A1 THERAPEUTIC COMPOSITION FOR ARTHRITIS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-10-31 WO disclosed
EP-0731793-A1 1,5-DIPHENYL PYRAZOLE COMPOUNDS FOR TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-09-18 EP disclosed
US-5475018-A Antiinflammatory agent, antiarthritic agent; analgesics and antipyretics G. D. SEARLE & CO. (US) 1995-12-12 US disclosed
WO-1995015315-A1 1,5-DIPHENYL PYRAZOLE COMPOUNDS FOR TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1995-06-08 WO disclosed