SCHEMBL7090696

SCHEMBL7090696

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

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 9/20 0.66
CA12 O43570 7/20 0.66
CA9 Q16790 7/20 0.66
CA1 P00915 7/20 0.66
KDM4E B2RXH2 1/20 0.64
PLA2G10 O15496 1/20 0.64
ALDH1A1 P00352 1/20 0.64
GAA P10253 1/20 0.64
HPGD P15428 1/20 0.64
HSD17B10 Q99714 1/20 0.64
PTGS2 P35354 9/20 0.60
CA14 Q9ULX7 2/20 0.52
CA3 P07451 1/20 0.52
CA4 P22748 1/20 0.52
CA6 P23280 1/20 0.52
CA5A P35218 1/20 0.52
CA7 P43166 1/20 0.52
PLA2G7 Q13093 1/20 0.52
CA13 Q8N1Q1 1/20 0.52
CA5B Q9Y2D0 1/20 0.52

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
SCHEMBL17562372 0.82 ALDH1A1 (0.64) CA2CA12CA9CA1KDM4E
SCHEMBL6482321 0.80 CA2 (1.00) CA2CA12CA9CA1PTGS2
SCHEMBL308881 0.80 CA2 (1.00) CA2CA12CA9CA1PTGS2
SCHEMBL8442953 0.80 ALDH1A1 (1.00) KDM4EPLA2G10ALDH1A1GAAHPGD
Hydrochloric Acid SCHEMBL30685243 0.78 CA2 (0.95) CA2CA12CA9CA1PTGS2
SCHEMBL5698707 0.78 CA2 (0.54) CA2CA12CA9CA1PTGS2
SCHEMBL6342030 0.76 PTGS2 (1.00) PTGS2
SCHEMBL6342623 0.76 PTGS2 (1.00) PTGS2
SCHEMBL7090564 0.76 PTGS2 (0.60) CA2CA12CA9CA1ALDH1A1
SCHEMBL7090047 0.76 PTGS2 (0.60) CA2CA12CA9CA1ALDH1A1

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 6 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
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 CA2 3267/4885CA12 4858/4885CA9 2915/4885

“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.