SCHEMBL6992436

SCHEMBL6992436

C[S+]([O-])c1ccc(C2=C(c3cccc(F)c3)C(=O)C(C)(C)O2)cc1Cl

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.43
PTGS1 P23219 7/20 0.43
PGR P06401 4/20 0.38
BRAF P15056 1/20 0.32

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
SCHEMBL13430696 0.91 PTGS2 (0.42) PTGS2PTGS1PGRBRAF
SCHEMBL6994340 0.90 PTGS2 (0.35) PTGS2PTGS1PGR
SCHEMBL6994777 0.89 PGR (0.40) PTGS2PTGS1PGR
SCHEMBL6991869 0.89 PTGS2 (0.44) PTGS2PTGS1PGR
SCHEMBL6996081 0.89 PTGS2 (0.44) PTGS2PTGS1PGR
SCHEMBL7003571 0.89 PTGS2 (0.33) PTGS2PTGS1PGRBRAF
SCHEMBL6992989 0.88 PTGS2 (0.32) PTGS2PTGS1PGR
SCHEMBL7001798 0.87 PTGS2 (0.43) PTGS2PTGS1PGR
SCHEMBL6995643 0.87 PTGS2 (0.37) PTGS2PTGS1PGRBRAF
SCHEMBL6994703 0.87 PTGES (0.34) PTGS1PGR

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-1109799-B1 4,5-DIARYL-3(2H)-FURANONE DERIVATIVES AS CYCLOOXYGENASE-2 INHIBITORS PACIFIC CORP (KR) 2003-12-17 EP claimed
US-6492416-B1 TREATING INFLAMMATION AND ASSOCIATED DISORDERS PACIFIC CORPORATION (KR) 2002-12-10 US claimed
EP-1109799-B1 4,5-DIARYL-3(2H)-FURANONE DERIVATIVES AS CYCLOOXYGENASE-2 INHIBITORS PACIFIC CORP (KR) 2003-12-17 EP disclosed
US-6492416-B1 TREATING INFLAMMATION AND ASSOCIATED DISORDERS PACIFIC CORPORATION (KR) 2002-12-10 US disclosed