SCHEMBL6996435

SCHEMBL6996435

C[S+]([O-])c1ccc(C2=C(c3ccc(F)cc3F)C(=O)C(C)(C)O2)cc1F

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRAF P15056 3/20 0.35
PDE3B Q13370 4/20 0.34
PDE3A Q14432 4/20 0.34
PTGS2 P35354 4/20 0.34
PGR P06401 1/20 0.32
NR3C2 P08235 1/20 0.32
TDP2 O95551 1/20 0.32
PTGS1 P23219 2/20 0.31
HSD11B1 P28845 4/20 0.31
MALT1 Q9UDY8 1/20 0.31
CYP3A4 P08684 2/20 0.30
HTR2A P28223 1/20 0.30
GRM2 Q14416 1/20 0.30
CYP2C9 P11712 1/20 0.30
HSD3B2 P26439 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL7001152 0.91 BRAF (0.35) BRAFPDE3BPDE3APTGS2PTGS1
SCHEMBL6999988 0.90 BRAF (0.33) BRAFPDE3BPDE3APTGS2PGR
SCHEMBL6998160 0.90 BRAF (0.37) BRAFPDE3BPDE3APTGS2PGR
SCHEMBL6995493 0.89 PTGS2 (0.34) PTGS2PGRNR3C2PTGS1
SCHEMBL7000064 0.88 PGR (0.35) BRAFPDE3BPDE3APTGS2PGR
SCHEMBL6997543 0.85 PTGS2 (0.37) PTGS2PGRPTGS1
SCHEMBL6996081 0.84 PTGS2 (0.44) PDE3BPDE3APTGS2PGRPTGS1
SCHEMBL6997310 0.84 PTGS2 (0.39) PDE3BPDE3APTGS2PGRNR3C2
SCHEMBL6997346 0.83 PTGS2 (0.32) PTGS2PGRPTGS1
SCHEMBL6995597 0.83 PGR (0.38) BRAFPTGS2PGRNR3C2PTGS1

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