SCHEMBL6205519

SCHEMBL6205519

CC(C)(C)C(=O)OCC(N)=O

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.41
POLB P06746 3/20 0.35
GAA P10253 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ALOX15 P16050 1/20 0.35
LMNA P02545 2/20 0.34
HSD17B10 Q99714 1/20 0.34
KDM4E B2RXH2 4/20 0.33
ALDH1A1 P00352 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HTT P42858 1/20 0.33
ELANE P08246 3/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 1/20 0.31
BTN3A1 O00481 2/20 0.31

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
SCHEMBL561844 0.81 PRKCA (0.38) PRKCAPOLBGAANPSR1ALOX15
SCHEMBL17708339 0.79 CYP4F2 (0.36) POLBGAAALOX15LMNAHSD17B10
SCHEMBL28019636 0.79 PRKCA (0.43) PRKCAPOLBGAANPSR1ALDH1A1
SCHEMBL7089654 0.77 PRKCA (0.42) PRKCAPOLBGAANPSR1ALDH1A1
SCHEMBL13647509 0.77 MAPK1 (0.47) PRKCAPOLBGAANPSR1ALDH1A1
SCHEMBL8816807 0.77 PRKCA (0.42) PRKCAPOLBGAANPSR1LMNA
SCHEMBL3517297 0.77 PRKCA (0.42) PRKCAPOLBGAANPSR1LMNA
SCHEMBL9866275 0.77 PRKCA (0.42) PRKCAPOLBGAANPSR1ELANE
SCHEMBL1557517 0.75 KDM4E (0.33) GAALMNAKDM4EALDH1A1L3MBTL1
SCHEMBL7222887 0.75 PRKCA (0.41) PRKCAPOLBGAANPSR1ALDH1A1

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
EP-1565461-A2 ANTIBACTERIAL SUBSTITUTED CYANOMETHYL(ENE)PIPERIDINOPHENYL OXAZOLIDINONES, PROCESS FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Patel, Mahesh V. (IN) 2005-08-24 EP claimed
WO-2004007489-A2 ANTIBACTERIAL SUBSTITUTED CYANOMETHYL (ENE) PIPERIDINOPHENYL OXAZOLIDINONES, PROCESS OR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM WOCKHARDT LIMITED (IN) 2004-01-22 WO claimed
CN-110291068-A The method for being used to prepare 2- pyridyl-ethyl group carboxamides derivatives 拜耳农作物科学股份公司 2019-09-27 CN disclosed
US-10011573-B2 Human androgen receptor DNA-binding domain (DBD) compounds as therapeutics and methods for their use THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2018-07-03 US disclosed
US-20170183319-A1 HUMAN ANDROGEN RECEPTOR DNA-BINDING DOMAN (DBD) COMPOUNDS AS THERAPEUTICS AND METHODS FOR THEIR USE THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2017-06-29 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-10011573-B2 Human androgen receptor DNA-binding domain (DBD) compounds as therapeutics and methods for their use AR, SHBG, BRCA1 PRKCA 1839/4885POLB 40/4885GAA 4189/4885
US-20170183319-A1 HUMAN ANDROGEN RECEPTOR DNA-BINDING DOMAN (DBD) COMPOUNDS AS THERAPEUTICS AND METHODS FOR THEIR USE AR, FSHR, ESRRB PRKCA 2378/4885POLB 46/4885GAA 4557/4885

“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.