SCHEMBL6999531

SCHEMBL6999531

CC1(C)OC(c2ccc(S(C)(=O)=O)c(F)c2)=C(c2cc(F)cc(F)c2)C1=S

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 10/20 0.41
PTGS1 P23219 5/20 0.37
PGR P06401 4/20 0.36
PIK3CD O00329 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
PIK3CG P48736 1/20 0.35
BRD4 O60885 2/20 0.32
EPAS1 Q99814 1/20 0.31
KIF11 P52732 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
SCHEMBL7000159 0.89 PTGS2 (0.43) PTGS2PTGS1PGRKIF11
SCHEMBL6999947 0.87 PTGS2 (0.45) PTGS2PTGS1PIK3CDPIK3CAPIK3CB
SCHEMBL6999052 0.84 PTGS2 (0.55) PTGS2PTGS1
SCHEMBL6995368 0.83 PGR (0.38) PTGS2PTGS1PGRPIK3CDPIK3CA
SCHEMBL6995143 0.79 PGR (0.36) PTGS2PGR
SCHEMBL6996821 0.78 PGR (0.37) PTGS2PGR
SCHEMBL6998609 0.78 PTGS2 (0.43) PTGS2PTGS1PIK3CDPIK3CAPIK3CB
SCHEMBL7002352 0.77 PTGS2 (0.45) PTGS2PTGS1PGREPAS1
SCHEMBL6997576 0.77 PTGS2 (0.53) PTGS2PTGS1PGR
SCHEMBL3228803 0.76 PTGS2 (0.44) PTGS2PTGS1PGRBRD4

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