SCHEMBL7089367

SCHEMBL7089367

NS(=O)(=O)c1ccc(-c2nc(-c3occ4ccccc34)[nH]c2-c2ccc(Cl)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 11/20 0.53
ALOX5 P09917 1/20 0.47
MAPK13 O15264 3/20 0.44
MAPK12 P53778 3/20 0.44
MAPK11 Q15759 3/20 0.44
MAPK14 Q16539 3/20 0.44
RAF1 P04049 1/20 0.44
ENPP3 O14638 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
PTGS1 P23219 5/20 0.43
GCGR P47871 2/20 0.43

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
SCHEMBL7089267 0.93 PTGS2 (0.50) PTGS2ALOX5CA12CA1CA2
SCHEMBL7085580 0.90 PTGS2 (0.57) PTGS2ALOX5MAPK11MAPK14PTGS1
SCHEMBL7087572 0.90 ALOX5 (0.60) PTGS2ALOX5MAPK13MAPK12MAPK11
SCHEMBL7088734 0.82 PTGS2 (0.58) PTGS2ALOX5MAPK11MAPK14PTGS1
SCHEMBL7085496 0.79 ALOX5 (0.60) PTGS2ALOX5MAPK13MAPK12MAPK11
SCHEMBL7087773 0.78 BRAF (0.54) PTGS2ALOX5MAPK13MAPK12MAPK11
SCHEMBL7089365 0.77 CA1 (0.58) PTGS2ALOX5MAPK13MAPK12MAPK11
SCHEMBL7087888 0.77 ALOX5 (0.54) PTGS2ALOX5MAPK13MAPK12MAPK11
SCHEMBL7090924 0.71 ALOX5 (0.55) PTGS2ALOX5MAPK13MAPK12MAPK11
SCHEMBL7087975 0.71 ALOX5 (0.52) PTGS2ALOX5MAPK13MAPK12MAPK11

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 PTGS2 122/4885ALOX5 74/4885MAPK13 2251/4885

“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.