SCHEMBL6997310

SCHEMBL6997310

C[S+]([O-])c1ccc(C2=C(c3ccc(F)c(F)c3)C(=O)C(C)(C)O2)cc1F

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.39
PTGS1 P23219 5/20 0.34
PGR P06401 3/20 0.34
PDE3B Q13370 1/20 0.30
PDE3A Q14432 1/20 0.30
NR3C1 P04150 1/20 0.30
NR3C2 P08235 1/20 0.30
AR P10275 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
SCHEMBL6995643 0.91 PTGS2 (0.37) PTGS2PTGS1PGRNR3C1NR3C2
SCHEMBL6995754 0.91 PGR (0.33) PTGS2PTGS1PGRNR3C1NR3C2
SCHEMBL6995493 0.90 PTGS2 (0.34) PTGS2PTGS1PGRNR3C1NR3C2
SCHEMBL6997543 0.89 PTGS2 (0.37) PTGS2PTGS1PGR
SCHEMBL6997346 0.89 PTGS2 (0.32) PTGS2PTGS1PGR
SCHEMBL7001576 0.89 PGR (0.38) PTGS2PTGS1PGRNR3C1NR3C2
SCHEMBL6996081 0.89 PTGS2 (0.44) PTGS2PTGS1PGRPDE3BPDE3A
SCHEMBL6999940 0.89 PTGS2 (0.36) PTGS2PTGS1PGRNR3C1NR3C2
SCHEMBL6994607 0.88 PDE3B (0.30) PDE3BPDE3A
SCHEMBL7001152 0.86 BRAF (0.35) PTGS2PTGS1PDE3BPDE3A

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