SCHEMBL8389072

SCHEMBL8389072

COc1ccc(C2=C(c3ccc(S(N)(=O)=O)nc3)CC3(CCCC3)C2)cc1

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 19/20 0.62
PTGS1 P23219 15/20 0.62

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
SCHEMBL8387187 0.98 PTGS2 (0.62) PTGS2PTGS1
SCHEMBL8387478 0.95 PTGS2 (0.68) PTGS2PTGS1
SCHEMBL8385142 0.89 PTGS2 (0.61) PTGS2PTGS1
SCHEMBL8385184 0.87 PTGS2 (0.61) PTGS2PTGS1
SCHEMBL8383910 0.86 PTGS2 (0.50) PTGS2PTGS1
SCHEMBL8384022 0.85 PTGS2 (0.48) PTGS2PTGS1
SCHEMBL8386027 0.84 PTGS2 (0.67) PTGS2PTGS1
SCHEMBL8386265 0.84 PTGS2 (0.50) PTGS2PTGS1
SCHEMBL8387807 0.84 PTGS2 (0.59) PTGS2PTGS1
SCHEMBL8385331 0.84 PTGS2 (0.64) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0743938-B1 SUBSTITUTED SPIRO COMPOUNDS FOR THE TREATMENT OF INFLAMMATION SEARLE & CO (US) 1999-04-21 EP disclosed
US-5393790-A Diphenyl- or phenyl/pyridyl-substituted spiroheptenes, -octenes,-nonenes or -decenes; cyclooxygenase II inhibitors; side effect reduction; antipyretics; antiarthritic agents G.D. SEARLE & CO. (US) 1995-02-28 US disclosed