SCHEMBL7001798

SCHEMBL7001798

C[S+]([O-])c1ccc(C2=C(c3cccc(F)c3)C(=O)C(C)(C)O2)cc1Br

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.43
PTGS1 P23219 5/20 0.43
PGR P06401 5/20 0.38
TNKS2 Q9H2K2 1/20 0.31
PDE3B Q13370 1/20 0.30
PDE3A Q14432 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
SCHEMBL6997177 0.90 PTGS2 (0.35) PTGS2PTGS1PGR
SCHEMBL6991869 0.89 PTGS2 (0.44) PTGS2PTGS1PGRTNKS2PDE3B
SCHEMBL6996081 0.89 PTGS2 (0.44) PTGS2PTGS1PGRTNKS2PDE3B
SCHEMBL7002885 0.89 PTGS2 (0.33) PTGS2PTGS1PGR
SCHEMBL6996452 0.88 HK2 (0.33) PTGS2PTGS1
SCHEMBL6992436 0.87 PTGS2 (0.43) PTGS2PTGS1PGR
SCHEMBL7001428 0.87 PGR (0.38) PGR
SCHEMBL6994061 0.87 PGR (0.33) PGR
SCHEMBL6997285 0.84 PTGS2 (0.47) PTGS2PTGS1PGRTNKS2PDE3B
SCHEMBL6995894 0.84 BRAF (0.33)

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