SCHEMBL7002155

SCHEMBL7002155

CC1(C)OC(c2ccc(S(C)(=O)=O)cc2)=C(c2ccc(Cl)c(C(F)(F)F)c2)C1=O

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 13/20 0.47
PTGS1 P23219 6/20 0.46
NOTUM Q6P988 1/20 0.46
KIF11 P52732 1/20 0.41
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPT P10636 1/20 0.39
CCR2 P41597 1/20 0.39
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38

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
SCHEMBL7001735 0.87 PTGS2 (0.45) PTGS2PTGS1NOTUMKIF11MAPT
SCHEMBL7000403 0.86 PTGS2 (0.60) PTGS2PTGS1
SCHEMBL7002463 0.85 PTGS2 (0.57) PTGS2PTGS1
SCHEMBL7003033 0.84 PTGS2 (0.40) PTGS2PTGS1KIF11
SCHEMBL6999589 0.84 PTGS2 (0.45) PTGS2PTGS1KIF11
SCHEMBL6995322 0.83 PTGS2 (0.43) PTGS2PTGS1KIF11
SCHEMBL6996172 0.83 PTGS2 (0.62) PTGS2PTGS1
SCHEMBL6995048 0.82 PTGS2 (0.53) PTGS2PTGS1
SCHEMBL7003953 0.81 PTGS2 (0.49) PTGS2PTGS1
SCHEMBL6996469 0.81 PTGS2 (0.50) 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