SCHEMBL31754347

SCHEMBL31754347

CN(OC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](CCCN)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SLC7A5 Q01650 1/20 0.49
▸ ITGB3 P05106 1/20 0.43
▸ ITGA2B P08514 1/20 0.43
▸ LNPEP Q9UIQ6 4/20 0.41
▸ ERAP2 Q6P179 3/20 0.39
▸ CTSB P07858 1/20 0.38
▸ EPOR P19235 1/20 0.37
▸ ERAP1 Q9NZ08 1/20 0.37
▸ GRIA1 P42261 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
SCHEMBL29641523 0.82 SLC7A5 (0.52) SLC7A5ITGB3ITGA2BLNPEPERAP2
SCHEMBL29909939 0.82 SLC7A5 (0.52) SLC7A5ITGB3ITGA2BLNPEPERAP2
SCHEMBL30759423 0.79 GRIA1 (0.42) LNPEPGRIA1
SCHEMBL30759400 0.79 SLC7A5 (0.40) SLC7A5LNPEPERAP2ERAP1
SCHEMBL30759435 0.77 ERAP2 (0.53) LNPEPERAP2ERAP1
SCHEMBL30759453 0.76 SLC7A5 (0.42) SLC7A5LNPEPERAP2
Tyrosine SCHEMBL27765246 0.76 SLC7A5 (0.75) SLC7A5ITGB3ITGA2BLNPEPERAP2
Acetic Acid SCHEMBL4291054 0.74 SLC7A5 (0.49) SLC7A5ITGB3ITGA2BLNPEPERAP2
SCHEMBL6275119 0.74 SLC7A5 (0.51) SLC7A5ITGB3ITGA2BLNPEPERAP2
Tyrosine SCHEMBL27709284 0.73 SLC7A5 (0.71) SLC7A5ITGB3ITGA2BLNPEPERAP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260001914-A1 MACROCYCLIC PEPTIDES TARGETING KRAS MERCK SHARP & DOHME LLC (US) 2026-01-01 — — 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-20260001914-A1 MACROCYCLIC PEPTIDES TARGETING KRAS KRAS, NRAS, HRAS SLC7A5 308/4885ITGB3 1796/4885ITGA2B 3535/4885

“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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