SCHEMBL8655413

SCHEMBL8655413

COc1ccc(C2=C(c3ccc(S(C)(=O)=O)cc3)CCC2)cc1F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 1.00
PTGS1 P23219 5/20 0.79

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
SCHEMBL8653015 0.89 PTGS2 (0.81) PTGS2PTGS1
SCHEMBL215880 0.88 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL8993482 0.87 PTGS2 (0.77) PTGS2PTGS1
SCHEMBL8654693 0.85 PTGS2 (0.74) PTGS2PTGS1
SCHEMBL8653672 0.84 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL8055958 0.84 PTGS2 (0.78) PTGS2PTGS1
SCHEMBL213834 0.84 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL8652743 0.83 PTGS2 (0.71) PTGS2PTGS1
SCHEMBL8652319 0.83 PTGS2 (0.71) PTGS2PTGS1
SCHEMBL8384169 0.83 PTGS2 (1.00) 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-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
EP-0724566-A1 1,2-DIARYLCYCLOPENTENYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-08-07 EP disclosed
WO-1995011883-A1 1,2-DIARYLCYCLOPENTENYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1995-05-04 WO disclosed