SCHEMBL4116271

SCHEMBL4116271

COC(=O)C(C)(C)CCCCCCCCCNC(=O)Nc1ccc(C(F)(F)F)cc1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
CNR1 P21554 1/20 0.49
EPHX2 P34913 2/20 0.49
MTOR P42345 2/20 0.47
NAMPT P43490 1/20 0.46
LMNA P02545 3/20 0.46
HTT P42858 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA4 P22748 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
EPHX1 P07099 3/20 0.44
ALDH1A1 P00352 1/20 0.44
MCHR1 Q99705 1/20 0.44
CCR3 P51677 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
SCHEMBL4010030 0.88 MEN1 (0.61) MEN1KMT2ACNR1EPHX2MTOR
SCHEMBL28728293 0.80 MEN1 (0.77) MEN1KMT2ACNR1EPHX2MTOR
SCHEMBL21950063 0.78 MEN1 (0.64) MEN1KMT2ACNR1EPHX2MTOR
SCHEMBL23328370 0.77 MEN1 (0.60) MEN1KMT2ACNR1EPHX2MTOR
SCHEMBL4057308 0.76 MEN1 (0.59) MEN1KMT2ACNR1EPHX2MTOR
SCHEMBL4016698 0.76 MEN1 (0.55) MEN1KMT2ACNR1EPHX2MTOR
SCHEMBL4016701 0.76 MEN1 (0.55) MEN1KMT2ACNR1EPHX2MTOR
SCHEMBL4122657 0.76 MEN1 (0.55) MEN1KMT2ACNR1EPHX2MTOR
SCHEMBL4012743 0.76 MEN1 (0.55) MEN1KMT2ACNR1EPHX2MTOR
SCHEMBL23328722 0.76 MEN1 (0.61) MEN1KMT2ACNR1EPHX2MTOR

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-20090247521-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS FOR THE TREATMENT OF ENDOTHELIAL DYSFUNCTION ARETE THERAPEUTICS, INC. 2009-10-01 US claimed
US-20090247521-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS FOR THE TREATMENT OF ENDOTHELIAL DYSFUNCTION ARETE THERAPEUTICS, INC. 2009-10-01 US disclosed
US-20090247521-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS FOR THE TREATMENT OF ENDOTHELIAL DYSFUNCTION ARETE THERAPEUTICS, INC. 2009-10-01 US disclosed
US-20090247521-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS FOR THE TREATMENT OF ENDOTHELIAL DYSFUNCTION ARETE THERAPEUTICS, INC. 2009-10-01 US disclosed
WO-2009086429-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. (US) 2009-07-09 WO disclosed
WO-2009086426-A2 SOLUBLE EPOXIDE HYDROLASE INHIBITORS FOR THE TREATMENT OF ENDOTHELIAL DYSFUNCTION ARETE THERAPEUTICS, INC. (US) 2009-07-09 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-20090247521-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS FOR THE TREATMENT OF ENDOTHELIAL DYSFUNCTION EPHX1, ECE1, LIPG MEN1 4861/4885KMT2A 4287/4885CNR1 1611/4885

“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.