SCHEMBL8040163

SCHEMBL8040163

CCC(=O)OCc1cc(-n2nc(C(F)(F)F)cc2-c2ccc(SC)cc2)ccc1S(N)(=O)=O

nearest known ligand 0.83

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 19/20 0.83
PTGS1 P23219 1/20 0.61

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
SCHEMBL8023487 0.89 PTGS2 (0.84) PTGS2PTGS1
SCHEMBL8039820 0.86 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL8033182 0.85 PTGS2 (0.77) PTGS2PTGS1
SCHEMBL8036564 0.84 PTGS2 (0.86) PTGS2PTGS1
SCHEMBL8037672 0.80 PTGS2 (0.67) PTGS2PTGS1
SCHEMBL8035256 0.79 PTGS2 (1.00) PTGS2
SCHEMBL8032856 0.78 PTGS2 (0.72) PTGS2PTGS1
SCHEMBL8023910 0.78 PTGS2 (0.84) PTGS2PTGS1
SCHEMBL6014015 0.77 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL8032904 0.76 PTGS2 (1.00) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2000066562-A1 PYRAZOLES HAVING ANTIINFLAMMATORY ACTIVITY DR. REDDY'S RESEARCH FOUNDATION (IN) 2000-11-09 WO claimed
WO-2000066562-A1 PYRAZOLES HAVING ANTIINFLAMMATORY ACTIVITY DR. REDDY'S RESEARCH FOUNDATION (IN) 2000-11-09 WO disclosed