SCHEMBL8385336

SCHEMBL8385336

CS(=O)(=O)c1ccc(C2=C(c3ccc(Cl)cc3)CC3(CCC3)C2)nc1

nearest known ligand 0.66

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 0.66
PTGS1 P23219 10/20 0.66

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
SCHEMBL8383953 0.98 PTGS2 (0.66) PTGS2PTGS1
SCHEMBL8386154 0.95 PTGS2 (0.73) PTGS2PTGS1
SCHEMBL8383810 0.93 PTGS2 (0.66) PTGS2PTGS1
SCHEMBL8387491 0.91 PTGS2 (0.66) PTGS2PTGS1
SCHEMBL8383896 0.89 PTGS2 (0.65) PTGS2PTGS1
SCHEMBL8384307 0.88 PTGS2 (0.66) PTGS2PTGS1
SCHEMBL8384055 0.88 PTGS2 (0.74) PTGS2PTGS1
SCHEMBL8385287 0.88 PTGS2 (0.55) PTGS2PTGS1
SCHEMBL8384144 0.88 PTGS2 (0.73) PTGS2PTGS1
SCHEMBL8384013 0.87 PTGS2 (0.65) 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-0743938-B1 SUBSTITUTED SPIRO COMPOUNDS FOR THE TREATMENT OF INFLAMMATION SEARLE & CO (US) 1999-04-21 EP claimed
EP-0743938-A1 SUBSTITUTED SPIRO COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-11-27 EP claimed
WO-1995021817-A1 SUBSTITUTED SPIRO COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1995-08-17 WO claimed
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