SCHEMBL7090924

SCHEMBL7090924

NS(=O)(=O)c1ccc(-c2nc(-c3ccoc3)[nH]c2-c2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.55
PTGS2 P35354 5/20 0.49
PTGS1 P23219 3/20 0.49
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49
MAPK13 O15264 3/20 0.48
MAPK12 P53778 3/20 0.48
MAPK11 Q15759 3/20 0.48
MAPK14 Q16539 3/20 0.48
GCGR P47871 1/20 0.48
RAF1 P04049 2/20 0.47
MAPK9 P45984 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
SCHEMBL7087888 0.89 ALOX5 (0.54) ALOX5PTGS2PTGS1CA12CA1
SCHEMBL7088230 0.89 ALOX5 (0.69) ALOX5PTGS2PTGS1MAPK13MAPK12
SCHEMBL7088574 0.88 PTGS1 (0.65) ALOX5PTGS2PTGS1MAPK11MAPK14
SCHEMBL7087975 0.81 ALOX5 (0.52) ALOX5PTGS2PTGS1CA12CA1
SCHEMBL7089267 0.78 PTGS2 (0.50) ALOX5PTGS2PTGS1CA12CA1
SCHEMBL7087436 0.78 ALOX5 (0.69) ALOX5PTGS2PTGS1MAPK11MAPK14
SCHEMBL7088050 0.78 PTGS1 (0.66) ALOX5PTGS2PTGS1MAPK13MAPK12
SCHEMBL7089265 0.76 CA1 (0.62) ALOX5PTGS2PTGS1CA12CA1
SCHEMBL30874320 0.74 PTGS1 (0.74) ALOX5PTGS2PTGS1MAPK13MAPK12
SCHEMBL7090916 0.73 ESR1 (0.65) ALOX5PTGS2PTGS1CA12CA1

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
US-20030050330-A1 4,5-subtstituted imdazolyl compounds for the treatment of inflammation G.D. SEARLE & CO. 2003-03-13 US disclosed
EP-0772601-B1 4,5-SUBSTITUTED IMIDAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION SEARLE & CO (US) 2002-09-18 EP disclosed
US-6426360-B1 ANTIARTHRITIC AGENTS G D SEARLE & CO. 2002-07-30 US disclosed
EP-1211244-A2 4,5-substitued imidazolyl compounds for the treatment of inflammation G.D. Searle & Co. (US) 2002-06-05 EP disclosed
EP-0772601-A1 4,5-SUBSTITUTED IMIDAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1997-05-14 EP disclosed
US-5620999-A ANTIARTHRITIC, ANALGESIC AND ANTIPYRATIC AGENT G.D. SEARLE & CO. 1997-04-15 US disclosed
WO-1996003387-A1 4,5-SUBSTITUTED IMIDAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-02-08 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030050330-A1 4,5-subtstituted imdazolyl compounds for the treatment of inflammation AHR, HACL2, IRAK2 ALOX5 74/4885PTGS2 122/4885PTGS1 114/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.