SCHEMBL8974128

SCHEMBL8974128

CS(=O)(=O)c1ccc(C2=CC(F)(F)C=C2c2ccc(Cl)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 16/20 0.56
PTGS1 P23219 6/20 0.54
RORC P51449 1/20 0.46

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
SCHEMBL8974485 0.85 PTGS2 (0.71) PTGS2PTGS1
SCHEMBL8974669 0.85 PTGS2 (0.59) PTGS2PTGS1RORC
SCHEMBL8974261 0.83 CA2 (0.60) PTGS2PTGS1
SCHEMBL8975150 0.83 PTGS2 (0.51) PTGS2PTGS1RORC
SCHEMBL9117936 0.83 PTGS2 (0.55) PTGS2PTGS1RORC
SCHEMBL9115937 0.82 PTGS2 (0.72) PTGS2PTGS1RORC
SCHEMBL8974513 0.82 PTGS2 (0.51) PTGS2PTGS1
SCHEMBL8974500 0.81 PTGS2 (0.52) PTGS2PTGS1RORC
SCHEMBL8974645 0.81 PTGS2 (0.57) PTGS2PTGS1
SCHEMBL8974351 0.81 PTGS2 (0.57) PTGS2PTGS1RORC

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
US-5576339-A Pyridyl substituted cyclopentadienes for the treatment of inflamation HUANG HORNG-CHIH (US) 1996-11-19 US disclosed
US-5418254-A Side effect reduction G. D. SEARLE & CO. (US) 1995-05-23 US disclosed