SCHEMBL30759527

SCHEMBL30759527

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

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 2/20 0.39
▸ OPRD1 P41143 2/20 0.39
▸ MMP12 P39900 2/20 0.37
▸ MMP2 P08253 9/20 0.36
▸ MMP1 P03956 4/20 0.36
▸ MMP3 P08254 4/20 0.36
▸ CTSL P07711 1/20 0.36
▸ CTSB P07858 1/20 0.36
▸ MME P08473 1/20 0.36
▸ ACE P12821 1/20 0.36
▸ CPA1 P15085 1/20 0.36
▸ ACE2 Q9BYF1 1/20 0.36
▸ KLKB1 P03952 1/20 0.36
▸ MMP9 P14780 1/20 0.36
▸ MMP8 P22894 1/20 0.36
▸ KISS1R Q969F8 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
SCHEMBL30759554 0.95 KISS1R (0.41) OPRM1OPRD1MMP12CTSLCTSB
SCHEMBL30759439 0.92 KISS1R (0.41) OPRM1OPRD1MMP12CTSLCTSB
SCHEMBL31754333 0.90 LONP1 (0.38) MMP12MMP2MMP1MMP3CTSL
SCHEMBL30759475 0.90 PLG (0.35) OPRM1OPRD1MMP12MMP2MMP1
SCHEMBL30759495 0.89 MMP12 (0.38) MMP12MMP2MMP1MMP3CTSL
SCHEMBL30759393 0.89 LMNA (0.38) —
SCHEMBL31754278 0.89 KISS1R (0.39) OPRM1OPRD1MMP2MMP1MMP3
SCHEMBL30759510 0.88 MMP12 (0.37) MMP12MMP2MMP1MMP3CTSL
SCHEMBL30759550 0.87 LONP1 (0.34) OPRM1OPRD1MMP12CTSLCTSB
SCHEMBL30759443 0.87 KISS1R (0.45) KISS1R

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 OPRM1 2520/4885OPRD1 2249/4885MMP12 3315/4885

“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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