SCHEMBL12214830

SCHEMBL12214830

CCC(=O)[C@H](N)CC(C)C

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.58
SLC1A3 P43003 4/20 0.45
SLC1A2 P43004 4/20 0.45
ANPEP P15144 7/20 0.42
RNPEP Q9H4A4 4/20 0.42
DNPEP Q9ULA0 2/20 0.42
ELANE P08246 1/20 0.42
LARS1 Q9P2J5 1/20 0.40
LAP3 P28838 2/20 0.39
ERAP1 Q9NZ08 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
SLC1A1 P43005 3/20 0.38
AAK1 Q2M2I8 1/20 0.38
CACNB3 P54284 1/20 0.35
CACNA2D1 P54289 1/20 0.35
CACNA1C Q13936 1/20 0.35

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
SCHEMBL13895431 1.00 SLC7A5 (0.58) SLC7A5SLC1A3SLC1A2ANPEPRNPEP
SCHEMBL8837368 1.00 SLC7A5 (0.58) SLC7A5SLC1A3SLC1A2ANPEPRNPEP
SCHEMBL28866572 0.81 SLC7A5 (0.54) SLC7A5SLC1A3SLC1A2ANPEPRNPEP
SCHEMBL13499200 0.81 SLC7A5 (0.54) SLC7A5SLC1A3SLC1A2ANPEPRNPEP
SCHEMBL23966934 0.80 SLC7A5 (0.58) SLC7A5SLC1A3SLC1A2ANPEPRNPEP
SCHEMBL8823909 0.80 SLC7A5 (0.58) SLC7A5SLC1A3SLC1A2ANPEPRNPEP
SCHEMBL28095787 0.80 SLC7A5 (0.58) SLC7A5SLC1A3SLC1A2ANPEPRNPEP
SCHEMBL24929107 0.80 SLC1A2 (0.37) SLC7A5SLC1A3SLC1A2ALDH1A1SLC1A1
SCHEMBL10297430 0.78 SLC7A5 (0.56) SLC7A5SLC1A3SLC1A2ANPEPRNPEP
SCHEMBL10021630 0.78 SLC7A5 (0.56) SLC7A5SLC1A3SLC1A2ANPEPRNPEP

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
WO-2022174179-A9 4'-HALOGEN CONTAINING NUCLEOTIDE AND NUCLEOSIDE THERAPEUTIC COMPOSITIONS AND USES RELATED THERETO EMORY UNIVERSITY (US) 2023-02-02 WO disclosed
US-20210252033-A1 N4-HYDROXYCYTIDINE AND DERIVATIVES AND ANTI-VIRAL USES RELATED THERETO NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-08-19 US disclosed
WO-2019173602-A1 4'-HALOGEN CONTAINING NUCLEOTIDE AND NUCLEOSIDE THERAPEUTIC COMPOSITIONS AND USES RELATED THERETO EMORY UNIVERSITY (US) 2019-09-12 WO disclosed
WO-2015006100-A1 ARYL AMIDE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-01-15 WO disclosed
US-8030279-B2 Tamandarin analogs and fragments thereof and methods of making and using THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2011-10-04 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-20210252033-A1 N4-HYDROXYCYTIDINE AND DERIVATIVES AND ANTI-VIRAL USES RELATED THERETO TYMP, MTAP, DCTD SLC7A5 1785/4885SLC1A3 1131/4885SLC1A2 1603/4885

“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.