SCHEMBL10202022

SCHEMBL10202022

CC(C)(C)C(=O)N[C@H]1CC[C@H](O)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.58
ALDH1A1 P00352 1/20 0.53
PKM P14618 1/20 0.44
PDK1 Q15118 1/20 0.43
PDK2 Q15119 1/20 0.43
PDK3 Q15120 1/20 0.43
PDK4 Q16654 1/20 0.43
LMNA P02545 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
EPHX1 P07099 1/20 0.40
GAA P10253 1/20 0.39
CCR2 P41597 1/20 0.39
SIGMAR1 Q99720 1/20 0.38
DRD2 P14416 2/20 0.36
HTR2A P28223 2/20 0.36
DRD3 P35462 2/20 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
SCHEMBL17690659 1.00 EPHX2 (0.58) EPHX2ALDH1A1PKMPDK1PDK2
SCHEMBL15317763 1.00 EPHX2 (0.58) EPHX2ALDH1A1PKMPDK1PDK2
SCHEMBL21100016 0.91 ALDH1A1 (0.60) EPHX2ALDH1A1PKMPDK1PDK2
SCHEMBL4087474 0.91 ALDH1A1 (0.60) EPHX2ALDH1A1PKMPDK1PDK2
SCHEMBL22169757 0.88 ALDH1A1 (0.46) EPHX2ALDH1A1PKMPDK1PDK2
SCHEMBL9498299 0.83 EPHX2 (0.54) EPHX2ALDH1A1PKMPDK1PDK2
SCHEMBL9124956 0.83 EPHX2 (0.54) EPHX2ALDH1A1PKMPDK1PDK2
SCHEMBL9019506 0.83 EPHX2 (0.54) EPHX2ALDH1A1PKMPDK1PDK2
SCHEMBL23573489 0.83 ALDH1A1 (0.53) EPHX2ALDH1A1PKMPDK1PDK2
SCHEMBL13246733 0.83 EPHX1 (0.53) ALDH1A1PKMPDK1PDK2PDK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9993554-B2 Use of P13K Inhibitors for the Treatment of Obesity, Steatosis and ageing CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2018-06-12 US disclosed
US-9993554-B2 Use of P13K Inhibitors for the Treatment of Obesity, Steatosis and ageing CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2018-06-12 US disclosed
US-8778935-B2 Imidazopyrazines for use as kinase inhibitors CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2014-07-15 US disclosed
US-20140154232-A1 Use of Pl3K Inhibitors for the Treatment of Obesity, Steatosis and Ageing CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2014-06-05 US disclosed
US-20120083492-A1 IMIDAZOPYRAZINES FOR USE AS KINASE INHIBITORS CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2012-04-05 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 (2 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-20140154232-A1 Use of Pl3K Inhibitors for the Treatment of Obesity, Steatosis and Ageing PLIN1, PCK2, PLIN3 EPHX2 3905/4885ALDH1A1 1641/4885PKM 658/4885
US-20120083492-A1 IMIDAZOPYRAZINES FOR USE AS KINASE INHIBITORS MTOR, PIK3CA, PI4KA EPHX2 4465/4885ALDH1A1 3679/4885PKM 345/4885

“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.