SCHEMBL8653116

SCHEMBL8653116

CS(=O)(=O)c1ccc(C2=C(c3ccc(C(F)(F)F)cn3)CC(F)(F)C2)cc1

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 18/20 0.58
PTGS1 P23219 8/20 0.44
GPR119 Q8TDV5 1/20 0.43
KIF11 P52732 1/20 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
SCHEMBL8652912 0.93 PTGS2 (0.58) PTGS2PTGS1
SCHEMBL8655030 0.91 PTGS2 (0.63) PTGS2PTGS1GPR119KIF11
SCHEMBL8652304 0.91 PTGS2 (0.58) PTGS2PTGS1GPR119KIF11
SCHEMBL8383993 0.89 PTGS2 (0.75) PTGS2PTGS1
SCHEMBL8652630 0.88 PTGS2 (0.58) PTGS2PTGS1KIF11
SCHEMBL8389253 0.87 PTGS2 (0.68) PTGS2PTGS1
SCHEMBL8655853 0.87 PTGS2 (0.59) PTGS2PTGS1GPR119KIF11
SCHEMBL8384907 0.87 PTGS2 (0.68) PTGS2PTGS1
SCHEMBL8653888 0.87 PTGS2 (0.59) PTGS2PTGS1GPR119KIF11
SCHEMBL8651600 0.86 PTGS2 (0.54) 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 7 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 claimed
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