SCHEMBL6997543

SCHEMBL6997543

C[S+]([O-])c1ccc(C2=C(c3cc(F)cc(F)c3)C(=O)C(C)(C)O2)cc1F

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.37
PTGS1 P23219 3/20 0.32
PGR P06401 5/20 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
SCHEMBL6995493 0.92 PTGS2 (0.34) PTGS2PTGS1PGR
SCHEMBL6997149 0.91 PTGS2 (0.37) PTGS2PTGS1PGR
SCHEMBL6996081 0.90 PTGS2 (0.44) PTGS2PTGS1PGR
SCHEMBL6997310 0.89 PTGS2 (0.39) PTGS2PTGS1PGR
SCHEMBL6994340 0.88 PTGS2 (0.35) PTGS2PTGS1PGR
SCHEMBL6997177 0.88 PTGS2 (0.35) PTGS2PTGS1PGR
SCHEMBL6997346 0.88 PTGS2 (0.32) PTGS2PTGS1PGR
SCHEMBL6995754 0.87 PGR (0.33) PTGS2PTGS1PGR
SCHEMBL6994607 0.87 PDE3B (0.30)
SCHEMBL6995143 0.86 PGR (0.36) PTGS2PGR

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-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
US-6492416-B1 TREATING INFLAMMATION AND ASSOCIATED DISORDERS PACIFIC CORPORATION (KR) 2002-12-10 US disclosed