SCHEMBL30759443

SCHEMBL30759443

CCCC[C@H](NC(=O)[C@@H](N)Cc1cccnc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@](F)(CCCC)C(=O)N(C)[C@@H](CC1CCCCC1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KISS1R Q969F8 2/20 0.45
▸ PSEN1 P49768 1/20 0.42
▸ PSEN2 P49810 1/20 0.42
▸ APH1B Q8WW43 1/20 0.42
▸ NCSTN Q92542 1/20 0.42
▸ APH1A Q96BI3 1/20 0.42
▸ PSENEN Q9NZ42 1/20 0.42
▸ REN P00797 14/20 0.41
▸ PSMB11 A5LHX3 1/20 0.40
▸ PSMA7 O14818 1/20 0.40
▸ PSMB1 P20618 1/20 0.40
▸ PSMA1 P25786 1/20 0.40
▸ PSMA2 P25787 1/20 0.40
▸ PSMA3 P25788 1/20 0.40
▸ PSMA4 P25789 1/20 0.40
▸ PSMB8 P28062 1/20 0.40
▸ PSMB9 P28065 1/20 0.40
▸ PSMA5 P28066 1/20 0.40
▸ PSMB4 P28070 1/20 0.40
▸ PSMB6 P28072 1/20 0.40

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
SCHEMBL30759554 0.92 KISS1R (0.41) KISS1RRENLONP1
SCHEMBL30759439 0.89 KISS1R (0.41) KISS1RRENLONP1
SCHEMBL31754278 0.87 KISS1R (0.39) KISS1RREN
SCHEMBL30759527 0.87 OPRM1 (0.39) KISS1R
SCHEMBL30759389 0.86 KISS1R (0.42) KISS1RREN
SCHEMBL31754333 0.85 LONP1 (0.38) PSMB11PSMA7PSMB1PSMA1PSMA2
SCHEMBL30759345 0.84 KISS1R (0.44) KISS1RREN
SCHEMBL30759495 0.84 MMP12 (0.38) PSMB11PSMA7PSMB1PSMA1PSMA2
SCHEMBL30759475 0.83 PLG (0.35) KISS1R
SCHEMBL30759510 0.82 MMP12 (0.37) —

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 KISS1R 2731/4885PSEN1 4350/4885PSEN2 4474/4885

“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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