SCHEMBL30759393

SCHEMBL30759393

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

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.38
▸ PKM P14618 2/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ TBXAS1 P24557 2/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ RIPK1 Q13546 1/20 0.35
▸ FPR1 P21462 1/20 0.34
▸ ANPEP P15144 1/20 0.34
▸ ERAP2 Q6P179 1/20 0.34
▸ ERAP1 Q9NZ08 1/20 0.34
▸ AKT1 P31749 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ GPR142 Q7Z601 1/20 0.33
▸ ECE1 P42892 1/20 0.33
▸ ALPI P09923 1/20 0.33
▸ PTGS1 P23219 1/20 0.33
▸ XIAP P98170 1/20 0.33
▸ SLC7A5 Q01650 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
SCHEMBL30759475 0.93 PLG (0.35) LMNACYP3A4
SCHEMBL30759554 0.90 KISS1R (0.41) —
SCHEMBL30759527 0.89 OPRM1 (0.39) —
SCHEMBL30759550 0.88 LONP1 (0.34) LMNACYP3A4
SCHEMBL30759439 0.87 KISS1R (0.41) —
SCHEMBL31754278 0.84 KISS1R (0.39) —
SCHEMBL31754333 0.83 LONP1 (0.38) —
SCHEMBL30759443 0.82 KISS1R (0.45) —
SCHEMBL30759495 0.82 MMP12 (0.38) —
SCHEMBL30759510 0.81 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 LMNA 1586/4885PKM 4530/4885KMT2A 2905/4885

“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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