SCHEMBL16670559

SCHEMBL16670559

CC(C)CC(N)C(=O)OC(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC7A5 Q01650 1/20 0.58
▸ SLC1A3 P43003 3/20 0.45
▸ SLC1A2 P43004 3/20 0.45
▸ ANPEP P15144 6/20 0.39
▸ RNPEP Q9H4A4 4/20 0.39
▸ DNPEP Q9ULA0 2/20 0.39
▸ SLC1A1 P43005 2/20 0.38
▸ LAP3 P28838 5/20 0.37
▸ LARS1 Q9P2J5 1/20 0.37
▸ CACNA2D1 P54289 2/20 0.36
▸ CACNB3 P54284 1/20 0.36
▸ CACNA1C Q13936 1/20 0.36
▸ PGR P06401 1/20 0.36
▸ ADRA1A P35348 1/20 0.36
▸ HTR2B P41595 1/20 0.36
▸ CACNA2D2 Q9NY47 1/20 0.36
▸ ERAP1 Q9NZ08 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ MAPK1 P28482 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
SCHEMBL16062283 1.00 SLC7A5 (0.58) SLC7A5SLC1A3SLC1A2ANPEPRNPEP
SCHEMBL995721 0.89 SLC7A5 (0.58) SLC7A5SLC1A3SLC1A2ANPEPRNPEP
SCHEMBL9100153 0.89 SLC7A5 (0.58) SLC7A5SLC1A3SLC1A2ANPEPRNPEP
SCHEMBL7676359 0.83 SLC7A5 (0.52) SLC7A5SLC1A3SLC1A2ANPEPRNPEP
SCHEMBL998946 0.83 SLC7A5 (0.52) SLC7A5SLC1A3SLC1A2ANPEPRNPEP
SCHEMBL1585736 0.83 SLC7A5 (0.52) SLC7A5SLC1A3SLC1A2ANPEPRNPEP
SCHEMBL29269090 0.83 SLC7A5 (0.52) SLC7A5SLC1A3SLC1A2ANPEPRNPEP
SCHEMBL541251 0.83 SLC7A5 (0.52) SLC7A5SLC1A3SLC1A2ANPEPRNPEP
SCHEMBL7361839 0.83 SLC7A5 (0.52) SLC7A5SLC1A3SLC1A2ANPEPRNPEP
SCHEMBL14485413 0.83 SLC7A5 (0.52) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170027897-A1 mTORC1 MODULATION BY AMINO ACIDS AND USES THEREOF WHITEHEAD INST BIOMEDICAL RES (US) 2017-02-02 — — US disclosed
EP-3060231-A1 MTORC1 MODULATION BY AMINO ACIDS AND USES THEREOF The Whitehead Institute for Biomedical Research (US) 2016-08-31 — — EP disclosed
WO-2015061607-A1 MTORC1 MODULATION BY AMINO ACIDS AND USES THEREOF WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2015-04-30 — — 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-20170027897-A1 mTORC1 MODULATION BY AMINO ACIDS AND USES THEREOF MTOR, RPTOR, EIF4EBP1 SLC7A5 1686/4885SLC1A3 834/4885SLC1A2 1142/4885

“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.

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