SCHEMBL7001692

SCHEMBL7001692

CC(=O)c1ccc(C2=C(c3ccc(S(N)(=O)=O)cc3)OC(C)(C)C2=O)cc1C(F)(F)F

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.39
CHRNA7 P36544 1/20 0.38
PTGS2 P35354 4/20 0.34
PTGS1 P23219 3/20 0.34
S1PR1 P21453 1/20 0.34
CA1 P00915 3/20 0.34
CA2 P00918 3/20 0.34
CA7 P43166 3/20 0.34
CA9 Q16790 3/20 0.34
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
PTGES O14684 1/20 0.33
HDAC3 O15379 1/20 0.33
PDPK1 O15530 1/20 0.33
CA12 O43570 1/20 0.33
PDE5A O76074 1/20 0.33
ABCB11 O95342 1/20 0.33
MT-CO2 P00403 1/20 0.33
LMNA P02545 1/20 0.33
CA3 P07451 1/20 0.33

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
SCHEMBL7003033 0.91 PTGS2 (0.40) KIF11PTGS2PTGS1
SCHEMBL7003008 0.86 CHRNA7 (0.40) KIF11CHRNA7PTGS2PTGS1CA1
SCHEMBL6994363 0.85 PDE3B (0.34) KIF11PDE3BPDE3A
SCHEMBL7002679 0.85 CHRNA7 (0.40) CHRNA7PTGS2PTGS1CA1CA2
SCHEMBL6994983 0.84 CHRNA7 (0.44) CHRNA7PTGS2PTGS1CYP2D6
SCHEMBL6999485 0.84 CHRNA7 (0.44) CHRNA7PTGS2PTGS1CA1CA2
SCHEMBL6996692 0.84 RXRA (0.42) KIF11CHRNA7PTGS2PTGS1S1PR1
SCHEMBL6994360 0.82 CHRNA7 (0.44) CHRNA7PTGS2PTGS1CA1CA2
SCHEMBL7001471 0.79 PTGS2 (0.39) KIF11PTGS2PTGS1
SCHEMBL6997787 0.79 PTGS2 (0.40) CHRNA7PTGS2PTGS1CA1CA2

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 6 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-A1 4,5-DIARYL-3(2H)-FURANONE DERIVATIVES AS CYCLOOXYGENASE-2 INHIBITORS PACIFIC CORPORATION (KR) 2001-06-27 EP claimed
WO-2000061571-A1 4,5-DIARYL-3(2H)-FURANONE DERIVATIVES AS CYCLOOXYGENASE-2 INHIBITORS PACIFIC CORPORATION (KR) 2000-10-19 WO 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