SCHEMBL7501068

SCHEMBL7501068

Cc1cc(-c2nc(Cc3ccccc3)oc2-c2ccc(S(N)(=O)=O)cc2)ccc1F

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 14/20 0.49
PTGS1 P23219 9/20 0.49
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
CA12 O43570 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
CA5A P35218 1/20 0.42
CA5B Q9Y2D0 1/20 0.42
MAPT P10636 2/20 0.42
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
NR4A2 P43354 1/20 0.39
RXRG P48443 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL7503630 0.96 PTGS2 (0.49) PTGS2PTGS1CA1CA2CA12
SCHEMBL7509029 0.92 PTGS2 (0.49) PTGS2PTGS1CA1CA2CA12
SCHEMBL7503762 0.91 PTGS2 (0.52) PTGS2PTGS1MAPTRXRARXRB
SCHEMBL7506149 0.91 CA2 (0.47) PTGS2PTGS1CA1CA2CA12
SCHEMBL7508644 0.91 CA1 (0.47) PTGS2PTGS1CA1CA2CA12
SCHEMBL7502868 0.88 RXRA (0.45) PTGS2PTGS1CA1CA2CA12
SCHEMBL7503580 0.88 PTGS2 (0.49) PTGS2PTGS1CA1CA2CA12
SCHEMBL7504045 0.87 PTGS2 (0.52) PTGS2PTGS1MAPTRXRARXRB
SCHEMBL7504168 0.86 CA1 (0.47) PTGS2PTGS1CA1CA2CA12
SCHEMBL7501079 0.86 CA1 (0.47) PTGS2PTGS1CA1CA2CA12

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 9 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-6090834-A ANALGESICS; RHEUMATIC DISORDERS; SKIN DISORDERS; GASTROINTESTINAL DISORDERS G.D. SEARLE & CO. (US) 2000-07-18 US disclosed
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
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