SCHEMBL8653276

SCHEMBL8653276

COc1cc(C2=C(c3ccc(S(C)(=O)=O)cc3)CCC2)cnc1F

nearest known ligand 0.66

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 19/20 0.66
PTGS1 P23219 3/20 0.58
PDE4B Q07343 1/20 0.47

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
SCHEMBL8651448 0.89 PTGS2 (0.67) PTGS2PTGS1
SCHEMBL8652454 0.89 PTGS2 (0.67) PTGS2PTGS1PDE4B
SCHEMBL8652881 0.86 PTGS2 (0.60) PTGS2PTGS1PDE4B
SCHEMBL8652333 0.85 PTGS2 (0.66) PTGS2PTGS1PDE4B
SCHEMBL8651441 0.85 PTGS2 (0.59) PTGS2PTGS1PDE4B
SCHEMBL8654052 0.85 PTGS2 (0.59) PTGS2PTGS1PDE4B
SCHEMBL8653694 0.85 PTGS2 (0.68) PTGS2PTGS1
SCHEMBL8653150 0.84 PTGS2 (0.63) PTGS2PTGS1
SCHEMBL8652939 0.83 PTGS2 (0.66) PTGS2PTGS1
SCHEMBL8652453 0.82 PTGS2 (0.72) 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 5 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-A1 1,2-DIARYLCYCLOPENTENYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-08-07 EP claimed
WO-1995011883-A1 1,2-DIARYLCYCLOPENTENYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1995-05-04 WO 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