SCHEMBL4252948

SCHEMBL4252948

CC(C)(C)OC(=O)Nc1ccc(OCCN2CCCCC2)c2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 10/20 0.52
MAPK13 O15264 3/20 0.50
MAPK12 P53778 3/20 0.50
MAPK11 Q15759 3/20 0.50
TNF P01375 3/20 0.49
MEN1 O00255 1/20 0.47
GAA P10253 1/20 0.47
KMT2A Q03164 1/20 0.47
CIT O14578 1/20 0.47
MUSK O15146 1/20 0.47
MAP3K7 O43318 1/20 0.47
RIPK2 O43353 1/20 0.47
STK10 O94804 1/20 0.47
MAP4K4 O95819 1/20 0.47
CHEK2 O96017 1/20 0.47
ABL1 P00519 1/20 0.47
EGFR P00533 1/20 0.47
RAF1 P04049 1/20 0.47
NTRK1 P04629 1/20 0.47
HSPB1 P04792 1/20 0.47

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
SCHEMBL23045048 0.90 HTT (0.51) MAPK14
SCHEMBL6162405 0.90 MAPK14 (0.53) MAPK14MAPK13MAPK12MAPK11TNF
SCHEMBL5257397 0.90 MAPK14 (0.65) MAPK14MAPK13MAPK12MAPK11TNF
SCHEMBL28520232 0.88 MAPK14 (0.46) MAPK14MAPK13MAPK12MAPK11TNF
SCHEMBL6160279 0.88 MAPK14 (0.49) MAPK14MAPK13MAPK12MAPK11TNF
SCHEMBL23045050 0.87 KDM4E (0.51) MAPK14
Hydrochloric Acid SCHEMBL6250129 0.84 MAPK14 (0.58) MAPK14MAPK13MAPK12MAPK11TNF
SCHEMBL1599976 0.82 MAPK14 (0.61) MAPK14MAPK13MAPK12MAPK11TNF
SCHEMBL7501276 0.81 AAK1 (0.47) MAPK14MAPK13MAPK12MAPK11TNF
SCHEMBL593957 0.81 AAK1 (0.47) MAPK14MAPK13MAPK12MAPK11TNF

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-20090227588-A1 Substituted pyrazole compounds useful as soluble epoxide hyrolase inhibitors FLECK ROMAN WOLFGANG 2009-09-10 US disclosed
US-20090227588-A1 Substituted pyrazole compounds useful as soluble epoxide hyrolase inhibitors FLECK ROMAN WOLFGANG 2009-09-10 US disclosed
US-20090227588-A1 Substituted pyrazole compounds useful as soluble epoxide hyrolase inhibitors FLECK ROMAN WOLFGANG 2009-09-10 US disclosed
EP-1960367-A2 SUBSTITUTED PYRAZOLE COMPOUNDS USEFUL AS SOLUBLE EPOXIDE HYDROLASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2008-08-27 EP disclosed
WO-2007067836-A2 SUBSTITUTED PYRAZOLE COMPOUNDS USEFUL AS SOLUBLE EPOXIDE HYDROLASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-06-14 WO disclosed
WO-2007067836-A2 SUBSTITUTED PYRAZOLE COMPOUNDS USEFUL AS SOLUBLE EPOXIDE HYDROLASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-06-14 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-20090227588-A1 Substituted pyrazole compounds useful as soluble epoxide hyrolase inhibitors EPHX1, EPHX2, EPX MAPK14 3271/4885MAPK13 3745/4885MAPK12 4368/4885

“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.