SCHEMBL4431602

SCHEMBL4431602

CCOC(=O)C1C(=O)C(C(=O)OCC)C(C)NC1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.51
KDM4E B2RXH2 4/20 0.51
MAPT P10636 2/20 0.51
CASP1 P29466 1/20 0.51
CASP7 P55210 1/20 0.51
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C19 P33261 1/20 0.48
LMNA P02545 2/20 0.43
HTT P42858 1/20 0.41
TDP1 Q9NUW8 1/20 0.37
GAA P10253 3/20 0.37
POLB P06746 2/20 0.37
HSD17B10 Q99714 2/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PDE4A P27815 1/20 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
SCHEMBL9729226 0.79 ALDH1A1 (0.45) ALDH1A1KDM4EMAPTCASP1CASP7
SCHEMBL9729236 0.79 ALDH1A1 (0.45) ALDH1A1KDM4EMAPTCASP1CASP7
SCHEMBL17199517 0.78 CYP1A2 (0.46) ALDH1A1KDM4EMAPTCASP1CASP7
SCHEMBL23527051 0.78 MEN1 (0.43) ALDH1A1KDM4EMAPTCASP1CASP7
SCHEMBL916946 0.75 ALDH1A1 (0.44) ALDH1A1KDM4EMAPTCASP1CASP7
SCHEMBL15241568 0.73 MEN1 (0.40) ALDH1A1KDM4EMAPTCASP1CASP7
SCHEMBL9636564 0.73 ALDH1A1 (0.44) ALDH1A1KDM4EMAPTCASP1CASP7
SCHEMBL10938885 0.73
SCHEMBL14969550 0.73
SCHEMBL10883941 0.72 ALDH1A1 (0.41) ALDH1A1KDM4EMAPTCASP1CASP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8759342-B2 Benzo[1,4]oxazin-3-one, benzo[1,4]thiazin-3-one and quinolin-2-one urotensin II receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2014-06-24 US disclosed
EP-2049120-A1 UROTENSIN II RECEPTOR ANTAGONISTS Janssen Pharmaceutica, N.V. (BE) 2009-04-22 EP disclosed
US-20080039454-A1 Urotensin II receptor antagonists JANSSEN PHARMACEUTICA, N.V. (BE) 2008-02-14 US disclosed
WO-2008016534-A1 UROTENSIN II RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA, N.V. (BE) 2008-02-07 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-20080039454-A1 Urotensin II receptor antagonists UTS2R, PLAUR, NTSR2 ALDH1A1 4139/4885KDM4E 4604/4885MAPT 1633/4885

“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.