SCHEMBL7087975

SCHEMBL7087975

NS(=O)(=O)c1ccc(-c2nc(-c3ccco3)[nH]c2-c2ccccc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.52
BRAF P15056 1/20 0.51
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49
PTGS2 P35354 6/20 0.47
PTGS1 P23219 4/20 0.46
MAPK13 O15264 1/20 0.45
GCGR P47871 1/20 0.45
MAPK12 P53778 1/20 0.45
MAPK11 Q15759 1/20 0.45
MAPK14 Q16539 1/20 0.45

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
SCHEMBL7087773 0.91 BRAF (0.54) ALOX5BRAFCA12CA1CA2
SCHEMBL7090042 0.91 ALOX5 (0.65) ALOX5BRAFCA12CA1CA2
SCHEMBL7090803 0.88 PTGS1 (0.62) ALOX5BRAFPTGS2PTGS1MAPK11
SCHEMBL14002071 0.86 BRAF (0.56) BRAFMAPK13GCGRMAPK12MAPK11
SCHEMBL7090924 0.81 ALOX5 (0.55) ALOX5CA12CA1CA2CA9
SCHEMBL7089265 0.81 CA1 (0.62) ALOX5CA12CA1CA2CA9
SCHEMBL7084298 0.79 ALOX5 (0.65) ALOX5PTGS2PTGS1MAPK11MAPK14
SCHEMBL7087754 0.79 PTGS2 (0.61) ALOX5BRAFPTGS2PTGS1MAPK11
SCHEMBL7089267 0.78 PTGS2 (0.50) ALOX5CA12CA1CA2CA9
SCHEMBL7087570 0.73 ALOX5 (0.60) ALOX5CA12CA1CA2CA9

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 74/4885BRAF 2230/4885CA12 4858/4885

“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.