SCHEMBL8035330

SCHEMBL8035330

COc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)c(CO)c2)cc1Cl

nearest known ligand 0.76

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 0.76
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
SCHEMBL8037767 0.93 PTGS2 (0.66) PTGS2PTGS1
SCHEMBL8039712 0.92 PTGS2 (0.80) PTGS2PTGS1
SCHEMBL8032913 0.90 PTGS2 (0.77) PTGS2PTGS1
SCHEMBL8039619 0.90 PTGS2 (0.77) PTGS2PTGS1
SCHEMBL896892 0.86 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL8023769 0.86 PTGS2 (0.73) PTGS2PTGS1
SCHEMBL6722098 0.85 PTGS2 (0.71) PTGS2PTGS1
SCHEMBL8035008 0.85 PTGS2 (0.86) PTGS2
SCHEMBL6340118 0.84 PTGS2 (0.82) PTGS2PTGS1
SCHEMBL8032870 0.83 PTGS2 (0.69) 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