SCHEMBL8550008

SCHEMBL8550008

Cc1nc(-c2cccc(F)c2)c(-c2ccc(S(N)(=O)=O)cc2)o1

nearest known ligand 0.75

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 16/20 0.75
PTGS1 P23219 9/20 0.75
KMT2A Q03164 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA4 P22748 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
SCHEMBL7500813 0.86 PTGS2 (1.00) PTGS2PTGS1KMT2A
SCHEMBL7505580 0.86 PTGS2 (1.00) PTGS2PTGS1KMT2A
SCHEMBL8550703 0.85 PTGS2 (0.54) PTGS2PTGS1CA1CA2CA4
SCHEMBL213986 0.84 PTGS2 (0.78) PTGS2PTGS1KMT2ACA1CA2
SCHEMBL8551037 0.84 PTGS2 (0.78) PTGS2PTGS1KMT2ACA1CA2
SCHEMBL7505993 0.84 PTGS2 (0.86) PTGS2PTGS1KMT2ACA1CA2
SCHEMBL31194857 0.83 MAPK13 (0.60) PTGS2PTGS1KMT2A
SCHEMBL6516453 0.81 PTGS2 (0.48) PTGS2PTGS1KMT2A
SCHEMBL7501172 0.80 PTGS2 (0.48) PTGS2PTGS1KMT2ACA1CA2
SCHEMBL7624713 0.79 PTGS2 (0.59) 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 4 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
EP-0825989-A1 SUBSTITUTED OXAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1998-03-04 EP disclosed
WO-1996036617-A1 SUBSTITUTED OXAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-11-21 WO disclosed