SCHEMBL8385137

SCHEMBL8385137

Cc1cc(C2=C(c3ccc(S(=O)(=O)C(F)F)cc3)CC3(CC3)C2)ccc1Cl

nearest known ligand 0.60

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 0.60
PTGS1 P23219 13/20 0.56

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
SCHEMBL8389090 0.89 PTGS2 (0.60) PTGS2PTGS1
SCHEMBL8388650 0.88 PTGS2 (0.71) PTGS2PTGS1
SCHEMBL8383806 0.88 PTGS2 (0.53) PTGS2PTGS1
SCHEMBL8387401 0.86 PTGS2 (0.61) PTGS2PTGS1
SCHEMBL8386138 0.86 PTGS2 (0.80) PTGS2PTGS1
SCHEMBL8389475 0.85 PTGS2 (0.51) PTGS2PTGS1
SCHEMBL8385285 0.85 PTGS2 (0.60) PTGS2PTGS1
SCHEMBL8385463 0.85 PTGS2 (0.78) PTGS2PTGS1
SCHEMBL8386009 0.84 PTGS2 (0.58) PTGS2PTGS1
SCHEMBL8384188 0.84 PTGS2 (0.58) 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 4 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
EP-0743938-A1 SUBSTITUTED SPIRO COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-11-27 EP disclosed
WO-1995021817-A1 SUBSTITUTED SPIRO COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1995-08-17 WO 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