SCHEMBL7001563

SCHEMBL7001563

C[S+]([O-])c1ccc(C2=C(c3cc(F)cc(F)c3)C(=O)C(C)(C)O2)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.34
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31
PTGS1 P23219 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
SCHEMBL7001577 0.91 PTGS2 (0.34) PTGS2PDE3BPDE3APTGS1
SCHEMBL7000370 0.90 PTGS2 (0.42) PTGS2PDE3BPDE3APTGS1
SCHEMBL6994802 0.88 PTGS2 (0.33) PTGS2
SCHEMBL6999726 0.88 HSD11B1 (0.32) PTGS2PDE3BPDE3APTGS1
SCHEMBL7001164 0.87 PTGS2 (0.38) PTGS2PDE3BPDE3APTGS1
SCHEMBL7002126 0.87 BRAF (0.36) PTGS2PDE3BPDE3A
SCHEMBL6999796 0.85 PTGS2 (0.39) PTGS2PTGS1
SCHEMBL6996428 0.85 BRAF (0.35) PDE3BPDE3A
SCHEMBL6993854 0.83 BRAF (0.33) PDE3BPDE3A
SCHEMBL6994790 0.83 PGR (0.36) 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