SCHEMBL30759487

SCHEMBL30759487

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

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ERAP2 Q6P179 9/20 0.67
▸ LNPEP Q9UIQ6 9/20 0.67
▸ ERAP1 Q9NZ08 7/20 0.67
▸ NPY4R P50391 2/20 0.60
▸ NPY1R P25929 1/20 0.60
▸ IL1RN P18510 2/20 0.55
▸ TSHR P16473 1/20 0.55
▸ OPRM1 P35372 2/20 0.54
▸ OPRD1 P41143 2/20 0.54
▸ BIRC2 Q13490 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ MDM4 O15151 1/20 0.49
▸ MDM2 Q00987 1/20 0.49

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
SCHEMBL29498151 0.89 BIRC2 (0.62) ERAP2LNPEPERAP1TSHROPRM1
SCHEMBL29468059 0.88 MME (0.60) ERAP2LNPEPERAP1NPY4RNPY1R
SCHEMBL27824405 0.87 ERAP2 (0.64) ERAP2LNPEPERAP1NPY4RNPY1R
SCHEMBL27824408 0.87 ERAP2 (0.64) ERAP2LNPEPERAP1NPY4RNPY1R
SCHEMBL12047661 0.85 ERAP2 (0.61) ERAP2LNPEPERAP1NPY4RNPY1R
SCHEMBL24345964 0.84 BIRC2 (0.66) BIRC2
Hydrochloric Acid SCHEMBL7698566 0.84 TSHR (0.58) ERAP2LNPEPERAP1NPY4RNPY1R
SCHEMBL14509566 0.84 TSHR (0.58) ERAP2LNPEPERAP1NPY4RNPY1R
SCHEMBL30759435 0.83 ERAP2 (0.53) ERAP2LNPEPERAP1NPY4RNPY1R
SCHEMBL29656807 0.83 BIRC2 (0.64) ERAP2LNPEPERAP1IL1RNTSHR

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-20260001914-A1 MACROCYCLIC PEPTIDES TARGETING KRAS MERCK SHARP & DOHME LLC (US) 2026-01-01 — — US disclosed
EP-4558513-A1 MACROCYCLIC PEPTIDES TARGETING KRAS Merck Sharp & Dohme LLC (US) 2025-05-28 — — EP disclosed
WO-2024020159-A1 MACROCYCLIC PEPTIDES TARGETING KRAS MERCK SHARP & DOHME LLC (US) 2024-01-25 — — 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-20260001914-A1 MACROCYCLIC PEPTIDES TARGETING KRAS KRAS, NRAS, HRAS ERAP2 3495/4885LNPEP 967/4885ERAP1 2333/4885

“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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