SCHEMBL7085576

SCHEMBL7085576

NS(=O)(=O)c1ccc(-c2nc(COc3ccccc3)[nH]c2-c2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA12 O43570 8/20 0.53
CA1 P00915 8/20 0.53
CA2 P00918 8/20 0.53
CA9 Q16790 8/20 0.53
CA4 P22748 1/20 0.49
CA5A P35218 1/20 0.49
CA7 P43166 1/20 0.49
CA5B Q9Y2D0 1/20 0.49
PTGS2 P35354 7/20 0.46
PTGS1 P23219 6/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ALOX5 P09917 1/20 0.44

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
SCHEMBL7090054 0.93 ALOX5 (0.54) CA12CA1CA2CA9CA4
SCHEMBL7084872 0.93 CA12 (0.47) CA12CA1CA2CA9CA4
SCHEMBL7088041 0.88 PTGS2 (0.62) PTGS2PTGS1
SCHEMBL7090064 0.87 PTGS2 (0.47) CA12CA1CA2CA9CA4
SCHEMBL7493039 0.82 ALOX5 (0.52) CA12CA1CA2CA9CA7
SCHEMBL7085196 0.82 PTGS2 (0.59) PTGS2PTGS1ALOX5
SCHEMBL7087766 0.82 PTGS2 (0.59) PTGS2PTGS1
SCHEMBL7502659 0.76 CA1 (0.56) CA12CA1CA2CA9CA4
SCHEMBL7506158 0.76 CA1 (0.56) CA12CA1CA2CA9CA4
SCHEMBL7090068 0.75 PTGS2 (0.62) PTGS2PTGS1

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.