SCHEMBL8023925

SCHEMBL8023925

COc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)c(CCO)c2)cc1

nearest known ligand 0.86

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 0.86
PTGS1 P23219 2/20 0.67

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
SCHEMBL896892 0.93 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL8023222 0.90 PTGS2 (0.85) PTGS2PTGS1
SCHEMBL8032870 0.88 PTGS2 (0.69) PTGS2PTGS1
SCHEMBL8036564 0.87 PTGS2 (0.86) PTGS2PTGS1
SCHEMBL8037767 0.87 PTGS2 (0.66) PTGS2PTGS1
SCHEMBL8035008 0.85 PTGS2 (0.86) PTGS2
SCHEMBL8037362 0.85 PTGS2 (0.66) PTGS2PTGS1
SCHEMBL8023487 0.85 PTGS2 (0.84) PTGS2PTGS1
SCHEMBL6723292 0.84 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL8023471 0.84 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