SCHEMBL7499215

SCHEMBL7499215

NS(=O)(=O)c1ccc(-c2oc(C(F)F)nc2-c2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.54
PTGS1 P23219 4/20 0.54
CA2 P00918 10/20 0.54
CA1 P00915 9/20 0.54
CA9 Q16790 8/20 0.54
CA12 O43570 7/20 0.54
MAOA P21397 1/20 0.50
MAOB P27338 1/20 0.50
CA7 P43166 2/20 0.46
MT-CO2 P00403 1/20 0.46
LMNA P02545 1/20 0.46
CA3 P07451 1/20 0.46
ADRB2 P07550 1/20 0.46
ADRB1 P08588 1/20 0.46
CYP3A4 P08684 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
CHRM1 P11229 1/20 0.46
ADRA2B P18089 1/20 0.46
CA4 P22748 1/20 0.46
CA6 P23280 1/20 0.46

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
SCHEMBL7508511 1.00 PTGS2 (0.54) PTGS2PTGS1CA2CA1CA9
SCHEMBL7498544 0.87 PTGS2 (0.67) PTGS2PTGS1
SCHEMBL7498729 0.87 PTGS2 (0.67) PTGS2PTGS1
SCHEMBL8550926 0.85 PTGS2 (0.52) PTGS2PTGS1CA2CA1CA9
SCHEMBL8139880 0.84 NR4A2 (0.55) PTGS2PTGS1LMNACYP3A4CHRM1
SCHEMBL6002469 0.83 PTGS2 (0.50) PTGS2PTGS1CA2CA1CA9
SCHEMBL5823861 0.83 PTGS2 (0.50) PTGS2PTGS1CA2CA1CA9
SCHEMBL7499074 0.83 PTGS2 (0.62) PTGS2PTGS1CA2CA1CA9
SCHEMBL8148150 0.83 CA2 (0.49) PTGS2PTGS1CA2CA1CA9
SCHEMBL8556828 0.81 USP1 (0.39) PTGS2CA2CA1CA9CA12

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