SCHEMBL7089415

SCHEMBL7089415

Cc1cc(/C=C/c2ccc(S(C)(=O)=O)cc2)ccc1F

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 12/20 0.56
NFE2L2 Q16236 1/20 0.47
PTGS1 P23219 3/20 0.45
ALOX5 P09917 1/20 0.45
MAOB P27338 1/20 0.44
TUBB1 Q9H4B7 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
SCHEMBL3738147 0.84 PTGS2 (0.80) PTGS2MAOB
SCHEMBL3738150 0.81 PTGS2 (0.71) PTGS2MAOB
SCHEMBL7493017 0.80 PTGS2 (0.55) PTGS2PTGS1ALOX5MAOB
SCHEMBL2329775 0.80 PTGS2 (0.64) PTGS2PTGS1
SCHEMBL9720723 0.80 MAOB (0.55) PTGS2PTGS1MAOB
SCHEMBL9720721 0.80 MAOB (0.55) PTGS2PTGS1MAOB
SCHEMBL17439304 0.78 PTGS2 (0.64) PTGS2NFE2L2PTGS1
SCHEMBL5698418 0.78 PTGS2 (0.64) PTGS2NFE2L2PTGS1
SCHEMBL16052791 0.78 PTGS2 (0.64) PTGS2NFE2L2PTGS1
SCHEMBL7090629 0.77 PTGS2 (0.55) PTGS2PTGS1ALOX5MAOB

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 5 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
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 122/4885NFE2L2 222/4885PTGS1 114/4885

“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.