SCHEMBL7085315

SCHEMBL7085315

CCOC(C)n1c(C(=O)C(F)(F)F)nc(-c2ccc(F)cc2)c1-c1ccc(SC)cc1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 14/20 0.42
MAPK13 O15264 6/20 0.42
MAPK12 P53778 6/20 0.42
MAPK11 Q15759 6/20 0.42
GCGR P47871 2/20 0.42
FAAH O00519 1/20 0.37
HMGCR P04035 3/20 0.36

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
SCHEMBL7090794 0.89 MAPK14 (0.43) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL11178939 0.83 PTGS2 (0.38)
SCHEMBL7088083 0.81 MAPK14 (0.43) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL9006002 0.74 HMGCR (0.41) MAPK14MAPK13MAPK12MAPK11FAAH
SCHEMBL7084889 0.72 MAPK14 (0.51) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL7084428 0.72 MAPK14 (0.51) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL7090577 0.70 MAPK14 (0.35) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL7090578 0.69 MAPK14 (0.42) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL8801695 0.67 CYP1A2 (0.30)
SCHEMBL7084443 0.64 PTGS2 (0.43)

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
EP-0772601-A1 4,5-SUBSTITUTED IMIDAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1997-05-14 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 MAPK14 1523/4885MAPK13 2251/4885MAPK12 2078/4885

“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.