SCHEMBL4057308

SCHEMBL4057308

CC(C)(CC(=O)O)CC(=O)NCCCCCCNC(=O)Nc1ccc(C(F)(F)F)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
EPHX2 P34913 3/20 0.54
CNR1 P21554 1/20 0.49
HDAC1 Q13547 2/20 0.48
HDAC8 Q9BY41 2/20 0.48
HDAC6 Q9UBN7 2/20 0.48
MTOR P42345 2/20 0.47
EPHX1 P07099 3/20 0.47
HTT P42858 2/20 0.47
ALDH1A1 P00352 1/20 0.47
NAMPT P43490 1/20 0.46
CCR3 P51677 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 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 0.81 MEN1 (0.61) MEN1KMT2AEPHX2CNR1MTOR
SCHEMBL28728293 0.80 MEN1 (0.77) MEN1KMT2AEPHX2CNR1MTOR
SCHEMBL4116271 0.76 MEN1 (0.59) MEN1KMT2AEPHX2CNR1MTOR
SCHEMBL20681685 0.75 MEN1 (0.68) MEN1KMT2AEPHX2CNR1MTOR
SCHEMBL4016222 0.75 MEN1 (0.56) MEN1KMT2AEPHX2CNR1MTOR
SCHEMBL4016218 0.75 MEN1 (0.56) MEN1KMT2AEPHX2CNR1MTOR
SCHEMBL23328369 0.75 MEN1 (0.63) MEN1KMT2AEPHX2CNR1MTOR
SCHEMBL15750289 0.75 EPHX1 (0.59) EPHX2CNR1HDAC1HDAC8HDAC6
SCHEMBL23328398 0.75 MEN1 (0.63) MEN1KMT2AEPHX2CNR1MTOR
SCHEMBL19622585 0.75 MEN1 (0.72) MEN1KMT2AEPHX2CNR1MTOR

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
WO-2009086429-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. (US) 2009-07-09 WO 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

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 4287/4885EPHX2 5/4885

“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.