SCHEMBL8550236

SCHEMBL8550236

COc1ccc(-c2oc(C(F)(F)F)nc2-c2ccc(S(N)(=O)=O)cc2)cc1Cl

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 0.56
PTGS1 P23219 15/20 0.56

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
SCHEMBL8549805 0.96 PTGS2 (0.56) PTGS2PTGS1
SCHEMBL213239 0.88 PTGS2 (0.56) PTGS2PTGS1
SCHEMBL8152668 0.85 PTGS1 (0.52) PTGS2PTGS1
SCHEMBL8147501 0.84 PTGS2 (0.57) PTGS2PTGS1
SCHEMBL8138706 0.81 PTGS2 (0.53) PTGS2PTGS1
SCHEMBL8145237 0.79 PTGS2 (0.51) PTGS2PTGS1
SCHEMBL8153075 0.79 PTGS2 (0.55) PTGS2PTGS1
SCHEMBL7505718 0.78 PTGS2 (0.54) PTGS2PTGS1
Sulfamide SCHEMBL4639002 0.78 PTGS2 (0.46) PTGS2PTGS1
SCHEMBL8153086 0.78 PTGS2 (0.48) 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
EP-0825989-A1 SUBSTITUTED OXAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1998-03-04 EP claimed
WO-1996036617-A1 SUBSTITUTED OXAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-11-21 WO claimed