SCHEMBL7500813

SCHEMBL7500813

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 18/20 1.00
PTGS1 P23219 11/20 1.00
MAOA P21397 1/20 0.55
MAOB P27338 1/20 0.55
KMT2A Q03164 1/20 0.48

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
SCHEMBL7505580 1.00 PTGS2 (1.00) PTGS2PTGS1MAOAMAOBKMT2A
SCHEMBL7505993 0.93 PTGS2 (0.86) PTGS2PTGS1KMT2A
SCHEMBL8551037 0.87 PTGS2 (0.78) PTGS2PTGS1MAOAMAOBKMT2A
SCHEMBL213986 0.87 PTGS2 (0.78) PTGS2PTGS1MAOAMAOBKMT2A
SCHEMBL216233 0.87 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL7503718 0.87 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL7504621 0.86 PTGS2 (0.76) PTGS2PTGS1MAOAMAOBKMT2A
SCHEMBL8140711 0.86 PTGS2 (0.76) PTGS2PTGS1KMT2A
SCHEMBL8552366 0.86 PTGS2 (0.76) PTGS2PTGS1KMT2A
SCHEMBL7799127 0.86 PTGS2 (0.76) PTGS2PTGS1KMT2A

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 6 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
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