SCHEMBL8655765

SCHEMBL8655765

CCC1CC(c2ccc(C(F)(F)F)cc2)=C(c2ccc(S(C)(=O)=O)cn2)C1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 15/20 0.49
GPR119 Q8TDV5 3/20 0.39
PTGS1 P23219 6/20 0.39
STAT3 P40763 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.37

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
SCHEMBL8652085 0.93 PTGS2 (0.49) PTGS2GPR119PTGS1
SCHEMBL8653567 0.90 PTGS2 (0.48) PTGS2GPR119PTGS1STAT3
SCHEMBL8652034 0.90 PTGS2 (0.48) PTGS2PTGS1
SCHEMBL8653082 0.87 PTGS2 (0.47) PTGS2PTGS1
SCHEMBL8655352 0.87 PTGS2 (0.52) PTGS2GPR119PTGS1STAT3
SCHEMBL8658464 0.87 PTGS2 (0.52) PTGS2GPR119PTGS1STAT3
SCHEMBL8654144 0.87 PTGS2 (0.63) PTGS2PTGS1
SCHEMBL8651282 0.86 PTGS2 (0.51) PTGS2GPR119PTGS1STAT3
SCHEMBL8655197 0.86 PTGS2 (0.48) PTGS2PTGS1
SCHEMBL8655674 0.84 PTGS2 (0.49) PTGS2GPR119PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0724566-B1 1,2-DIARYLCYCLOPENTENYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION SEARLE & CO (US) 1998-10-07 EP disclosed
US-5663180-A ANTIARTHRITIC, ANTIINFLAMMATORY AGENTS G.D. SEARLE & CO. (US) 1997-09-02 US disclosed
EP-0724566-A1 1,2-DIARYLCYCLOPENTENYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-08-07 EP disclosed
US-5420287-A 1,2 diarylcyclopentenyl compounds for the treatment of inflammation G. D. SEARLE & CO. (US) 1995-05-30 US disclosed
WO-1995011883-A1 1,2-DIARYLCYCLOPENTENYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1995-05-04 WO disclosed
US-5344991-A Sulfonyl or sulfamyl derivatives for treatment of arthritis and pain G.D. SEARLE & CO. (US) 1994-09-06 US disclosed