SCHEMBL31754336

SCHEMBL31754336

CCCC[C@H](N)C(=O)N(C)[C@@H](Cc1cccnc1)C(=O)SC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.39
▸ KIF11 P52732 5/20 0.38
▸ CYP3A4 P08684 2/20 0.35
▸ RIPK1 Q13546 1/20 0.34
▸ ECE1 P42892 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ ANPEP P15144 1/20 0.34
▸ ERAP2 Q6P179 1/20 0.34
▸ ERAP1 Q9NZ08 1/20 0.34
▸ SLC1A5 Q15758 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ KMT2A Q03164 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
SCHEMBL27041653 0.84 LMNA (0.44) LMNARIPK1ANPEPERAP2ERAP1
SCHEMBL27041657 0.84 LMNA (0.44) LMNARIPK1ANPEPERAP2ERAP1
SCHEMBL30759428 0.79 RIPK1 (0.39) LMNACYP3A4RIPK1TDP1L3MBTL1
SCHEMBL30759455 0.72 CTSK (0.42) LMNAECE1SLC1A5PKMKMT2A
SCHEMBL27041655 0.69 KCNA5 (0.45) LMNAECE1ANPEPERAP2ERAP1
SCHEMBL7907904 0.68 ALPI (0.50) ANPEPPKM
SCHEMBL31000651 0.67 MME (0.50) —
SCHEMBL4434505 0.67 MME (0.50) —
SCHEMBL30759517 0.67 LMNA (0.42) LMNACYP3A4ANPEPERAP2ERAP1
SCHEMBL21896075 0.66 TBXAS1 (0.56) ANPEPERAP2ERAP1TDP1L3MBTL1

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 1 patent. 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

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 1586/4885KIF11 3129/4885CYP3A4 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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