SCHEMBL8385281

SCHEMBL8385281

COc1c(Br)cc(C2=C(c3ccc(S(=O)(=O)C(F)(F)F)cc3)CC3(CC3)C2)cc1Br

nearest known ligand 0.57

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 0.57
PTGS1 P23219 13/20 0.57

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
SCHEMBL8389070 0.87 PTGS2 (0.75) PTGS2PTGS1
SCHEMBL8389169 0.87 PTGS2 (0.58) PTGS2PTGS1
SCHEMBL8389208 0.87 PTGS2 (0.56) PTGS2PTGS1
SCHEMBL8388459 0.86 PTGS2 (0.74) PTGS2PTGS1
SCHEMBL8389357 0.85 PTGS2 (0.76) PTGS2PTGS1
SCHEMBL8389166 0.85 PTGS2 (0.76) PTGS2PTGS1
SCHEMBL8389067 0.85 PTGS2 (0.58) PTGS2PTGS1
SCHEMBL8389068 0.84 PTGS2 (0.53) PTGS2PTGS1
SCHEMBL8387271 0.84 PTGS2 (0.57) PTGS2PTGS1
SCHEMBL8387467 0.81 PTGS2 (0.49) 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 3 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-5736579-A ANTIARTHRITIC, ANTIPYRETIC AND ANALGESIC AGENTS G.D. SEARLE & CO. (US) 1998-04-07 US 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