SCHEMBL7001152

SCHEMBL7001152

C[S+]([O-])c1ccc(C2=C(c3cc(F)ccc3F)C(=O)C(C)(C)O2)cc1F

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BRAF P15056 7/20 0.35
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
PTGS2 P35354 3/20 0.31
PTGS1 P23219 1/20 0.31
MALT1 Q9UDY8 1/20 0.31

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
SCHEMBL6996435 0.91 BRAF (0.35) BRAFPDE3BPDE3APTGS2PTGS1
SCHEMBL6995894 0.90 BRAF (0.33) BRAF
SCHEMBL6992401 0.90 BRAF (0.37) BRAFPTGS2PTGS1
SCHEMBL6995493 0.89 PTGS2 (0.34) PTGS2PTGS1
SCHEMBL7000064 0.88 PGR (0.35) BRAFPDE3BPDE3APTGS2
SCHEMBL6997310 0.86 PTGS2 (0.39) PDE3BPDE3APTGS2PTGS1
SCHEMBL6997543 0.85 PTGS2 (0.37) PTGS2PTGS1
SCHEMBL6996081 0.84 PTGS2 (0.44) PDE3BPDE3APTGS2PTGS1
SCHEMBL6995754 0.84 PGR (0.33) BRAFPTGS2PTGS1
SCHEMBL6997346 0.83 PTGS2 (0.32) 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-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