SCHEMBL5264017

SCHEMBL5264017

C[C@H](N)Cc1cccc(CNC(=O)OC(C)(C)C)c1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GLS O94925 4/20 0.51
SLC7A5 Q01650 1/20 0.48
CTSS P25774 5/20 0.46
CTSK P43235 4/20 0.46
CTSB P07858 3/20 0.46
BRD4 O60885 2/20 0.45
KDM4A O75164 1/20 0.45
CTSL P07711 2/20 0.45
CREBBP Q92793 1/20 0.44
ATM Q13315 1/20 0.44
TAAR1 Q96RJ0 2/20 0.43
NAMPT P43490 1/20 0.43

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
SCHEMBL5261267 1.00 GLS (0.51) GLSSLC7A5CTSSCTSKCTSB
SCHEMBL25908751 0.89 GLS (0.51) GLSSLC7A5CTSSCTSKCTSB
SCHEMBL19143295 0.88 SLC7A5 (0.64) GLSSLC7A5CTSSCTSKCTSB
SCHEMBL13821569 0.88 GLS (0.48) GLSSLC7A5CTSSCTSKCTSB
SCHEMBL12645129 0.88 SLC7A5 (0.64) GLSSLC7A5CTSSCTSKCTSB
SCHEMBL731697 0.87 CA2 (0.51) GLSSLC7A5CTSSCTSKCTSB
SCHEMBL6414451 0.87 CA2 (0.51) GLSSLC7A5CTSSCTSKCTSB
SCHEMBL25968478 0.87 GLS (0.49) GLSSLC7A5CTSSCTSKCTSB
SCHEMBL731698 0.87 CA2 (0.51) GLSSLC7A5CTSSCTSKCTSB
SCHEMBL5263829 0.85 CTSS (0.47) GLSCTSSCTSKCTSBBRD4

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
EP-1836174-B2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2019-10-02 EP disclosed
EP-1836174-B1 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2013-02-27 EP disclosed
EP-1794135-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE Amgen Inc. (US) 2007-06-13 EP disclosed
US-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use AMGEN INC. 2007-03-08 US disclosed
WO-2006037117-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2006-04-06 WO disclosed
US-20060069110-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2006-03-30 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-20060069110-A1 Substituted heterocyclic compounds and methods of use MAPT, MYLK2, IAPP GLS 819/4885SLC7A5 4389/4885CTSS 379/4885
US-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use MAP3K1, MAP3K5, MAP3K2 GLS 716/4885SLC7A5 2759/4885CTSS 2419/4885

“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.