SCHEMBL12413549

SCHEMBL12413549

CC(C)(C)C(=O)NCNC1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 10/20 0.42
PDK1 Q15118 1/20 0.42
PDK2 Q15119 1/20 0.42
PDK3 Q15120 1/20 0.42
PDK4 Q16654 1/20 0.42
EPHX2 P34913 1/20 0.41
HPGD P15428 2/20 0.41
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.39
CXCR4 P61073 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PREP P48147 1/20 0.38
FAP Q12884 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL5113679 0.84 EPHX1 (0.45) EPHX1PDK1PDK2PDK3PDK4
SCHEMBL16330211 0.79 EPHX1 (0.43) EPHX1EPHX2KDM4EALDH1A1KMT2A
SCHEMBL19652077 0.75 EPHX1 (0.57) EPHX1EPHX2KMT2APREPFAP
SCHEMBL1709299 0.75 EPHX1 (0.57) EPHX1EPHX2KMT2APREPFAP
SCHEMBL23481547 0.74 PDK1 (0.63) EPHX1PDK1PDK2PDK3PDK4
SCHEMBL9611268 0.74 PDK1 (0.63) EPHX1PDK1PDK2PDK3PDK4
SCHEMBL9892338 0.73 EPHX1 (0.58) EPHX1HPGDSMN1; SMN2HSD17B10PREP
SCHEMBL18624748 0.72 EPHX1 (0.53) EPHX1EPHX2KMT2ASMN1; SMN2HSD17B10
SCHEMBL15131910 0.72 POLB (0.41) KDM4EALDH1A1SMN1; SMN2PREPFAP
SCHEMBL9611267 0.71 ALDH1A1 (0.61) EPHX1PDK1PDK2PDK3PDK4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110165120-A1 INHIBITORS OF SERINE PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-07 US 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-20110165120-A1 INHIBITORS OF SERINE PROTEASES PRSS1, PRSS3, PRSS2 EPHX1 1666/4885PDK1 2928/4885PDK2 3868/4885

“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.