SCHEMBL8652829

SCHEMBL8652829

CS(=O)(=O)c1ccc(C2=C(c3ccc(C(F)(F)F)cc3)CC(C(F)(F)F)(C(F)(F)F)C2)cc1

nearest known ligand 0.76

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 0.76
PTGS1 P23219 10/20 0.55

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
SCHEMBL8655030 0.87 PTGS2 (0.63) PTGS2PTGS1
SCHEMBL8653019 0.87 PTGS2 (0.74) PTGS2PTGS1
SCHEMBL8653308 0.87 PTGS2 (0.76) PTGS2PTGS1
SCHEMBL8652917 0.87 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL8652600 0.87 PTGS2 (0.76) PTGS2PTGS1
SCHEMBL8655011 0.86 PTGS2 (0.58) PTGS2PTGS1
SCHEMBL8383616 0.85 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL8656503 0.85 PTGS2 (0.74) PTGS2PTGS1
SCHEMBL8656452 0.83 PTGS2 (0.69) PTGS2PTGS1
SCHEMBL8383826 0.83 PTGS2 (0.89) 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 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