SCHEMBL7500076

SCHEMBL7500076

CCOC(=O)Cc1nc(-c2ccc(F)cc2)c(-c2ccc(S(C)(=O)=O)cc2)o1

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 17/20 0.61
PTGS1 P23219 4/20 0.61
NR4A2 P43354 1/20 0.44

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
SCHEMBL7506875 0.91 PTGS2 (0.61) PTGS2PTGS1NR4A2
SCHEMBL7503163 0.90 PTGS2 (0.60) PTGS2PTGS1NR4A2
SCHEMBL7501153 0.90 PTGS2 (0.60) PTGS2PTGS1NR4A2
SCHEMBL215744 0.85 PTGS2 (0.64) PTGS2PTGS1NR4A2
SCHEMBL6025799 0.82 PTGS2 (0.68) PTGS2PTGS1
SCHEMBL7504636 0.81 PTGS2 (0.58) PTGS2PTGS1NR4A2
SCHEMBL7499580 0.81 NR4A2 (0.55) PTGS2PTGS1NR4A2
SCHEMBL7500911 0.81 PTGS2 (0.58) PTGS2PTGS1NR4A2
SCHEMBL7501262 0.81 NR4A2 (0.55) PTGS2PTGS1NR4A2
SCHEMBL7500353 0.81 PTGS2 (0.67) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0699192-B1 SUBSTITUTED OXAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION SEARLE & CO (US) 2002-07-24 EP claimed
EP-0699192-A1 SUBSTITUTED OXAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-03-06 EP claimed
WO-1994027980-A1 SUBSTITUTED OXAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1994-12-08 WO claimed
EP-0699192-B1 SUBSTITUTED OXAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION SEARLE & CO (US) 2002-07-24 EP disclosed
US-5719163-A ARTHRITIS G.D. SEARLE & CO. (US) 1998-02-17 US disclosed
EP-0699192-A1 SUBSTITUTED OXAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-03-06 EP disclosed
WO-1994027980-A1 SUBSTITUTED OXAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1994-12-08 WO disclosed