SCHEMBL30759465

SCHEMBL30759465

CCCC[C@@H](C(=O)N(C)[C@@H](Cc1cccnc1)C(=O)O)N(C)OC(=O)[C@@H](N)Cc1ccc(O)cc1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.37
▸ TBXAS1 P24557 2/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ SLC7A5 Q01650 1/20 0.35
▸ SLC1A5 Q15758 1/20 0.35
▸ OPRM1 P35372 2/20 0.35
▸ OPRD1 P41143 2/20 0.35
▸ TYR P14679 2/20 0.34
▸ ANPEP P15144 2/20 0.33
▸ ERAP2 Q6P179 2/20 0.33
▸ ERAP1 Q9NZ08 2/20 0.33
▸ LNPEP Q9UIQ6 1/20 0.33
▸ ESR1 P03372 1/20 0.33
▸ CYP19A1 P11511 1/20 0.33
▸ ITGB3 P05106 1/20 0.33
▸ ITGA2B P08514 1/20 0.33
▸ PLG P00747 1/20 0.33

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
SCHEMBL31754252 0.82 KISS1R (0.45) OPRM1OPRD1ERAP2ERAP1LNPEP
SCHEMBL27041657 0.81 LMNA (0.44) LMNATBXAS1SLC1A5ANPEPERAP2
SCHEMBL27041653 0.81 LMNA (0.44) LMNATBXAS1SLC1A5ANPEPERAP2
SCHEMBL30759423 0.79 GRIA1 (0.42) OPRM1LNPEP
SCHEMBL30759431 0.79 KLKB1 (0.36) OPRD1ERAP2ERAP1LNPEPPLG
SCHEMBL30759471 0.78 KISS1R (0.42) OPRM1OPRD1ERAP2ERAP1LNPEP
SCHEMBL30759400 0.78 SLC7A5 (0.40) SLC7A5OPRM1OPRD1TYRERAP2
SCHEMBL30759455 0.76 CTSK (0.42) LMNASLC1A5OPRM1OPRD1
SCHEMBL31754347 0.75 SLC7A5 (0.49) SLC7A5ERAP2ERAP1LNPEPITGB3
SCHEMBL30759428 0.72 RIPK1 (0.39) LMNACYP3A4

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 LMNA 1586/4885TBXAS1 4519/4885CYP3A4 4761/4885

“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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