SCHEMBL7085202

SCHEMBL7085202

NS(=O)(=O)c1ccc(-c2nc(Cc3ccccc3)[nH]c2-c2ccc(Cl)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
PTGS2 P35354 14/20 0.49
PTGS1 P23219 9/20 0.49
NR1H2 P55055 1/20 0.44
ALOX5 P09917 1/20 0.43
MAPK13 O15264 1/20 0.43
RAF1 P04049 1/20 0.43
MAPK12 P53778 1/20 0.43
MAPK11 Q15759 1/20 0.43
MAPK14 Q16539 1/20 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
SCHEMBL7085305 0.90 MAPK13 (0.54) CA12CA1CA2CA9CA14
SCHEMBL7090733 0.88 PTGS2 (0.62) PTGS2PTGS1
SCHEMBL7084872 0.83 CA12 (0.47) CA12CA1CA2CA9PTGS2
SCHEMBL7087491 0.83 PTGS2 (0.47) CA12CA1CA2CA9PTGS2
SCHEMBL26110690 0.82 MAPK13 (0.52) NR1H2MAPK13RAF1MAPK12MAPK11
SCHEMBL7090966 0.81 PTGS2 (0.58) PTGS2PTGS1MAPK13MAPK12MAPK11
SCHEMBL7090064 0.79 PTGS2 (0.47) CA12CA1CA2CA9CA14
SCHEMBL7089166 0.78 PTGS2 (0.61) PTGS2PTGS1MAPK13MAPK12MAPK11
SCHEMBL3278317 0.78 KDM4E (0.58) NR1H2MAPK13RAF1MAPK12MAPK11
SCHEMBL7084408 0.76 CA1 (0.51) CA12CA1CA2CA9CA14

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5620999-A ANTIARTHRITIC, ANALGESIC AND ANTIPYRATIC AGENT G.D. SEARLE & CO. 1997-04-15 US claimed
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 CA12 4858/4885CA1 4768/4885CA2 3267/4885

“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.