SCHEMBL31754320

SCHEMBL31754320

NCCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@@H](N)CS)C(N)=O

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TLR2 O60603 1/20 0.43
▸ ROCK2 O75116 3/20 0.42
▸ PRKACA P17612 1/20 0.42
▸ AKT3 Q9Y243 1/20 0.42
▸ NMT1 P30419 3/20 0.41
▸ NMT2 O60551 2/20 0.41
▸ TERT O14746 1/20 0.41
▸ FURIN P09958 1/20 0.40
▸ PTGS1 P23219 1/20 0.39
▸ GSTK1 Q9Y2Q3 1/20 0.39
▸ NOD1 Q9Y239 1/20 0.39
▸ FNTA P49354 2/20 0.38
▸ FNTB P49356 2/20 0.38
▸ PGGT1B P53609 1/20 0.38

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
SCHEMBL30741643 0.89 NMT1 (0.44) TLR2ROCK2PRKACAAKT3NMT1
SCHEMBL29726637 0.88 TLR2 (0.41) TLR2ROCK2PRKACAAKT3
SCHEMBL12302600 0.86 F10 (0.37) TLR2ROCK2PRKACAAKT3NMT1
SCHEMBL23968643 0.86 PTGS1 (0.54) NMT1NMT2TERTPTGS1GSTK1
SCHEMBL29369655 0.86 PTGS1 (0.54) NMT1NMT2TERTPTGS1GSTK1
SCHEMBL29552923 0.86 FNTA (0.51) TERTPTGS1GSTK1NOD1FNTA
SCHEMBL8766612 0.86 TERT (0.49) TLR2TERTPTGS1GSTK1NOD1
SCHEMBL31678957 0.84 TERT (0.50) TLR2NMT1NMT2TERTNOD1
SCHEMBL29378785 0.84 FNTA (0.46) NMT1NMT2FNTAFNTBPGGT1B
SCHEMBL30398536 0.84 QRFPR (0.42) TLR2ROCK2PRKACAAKT3NMT1

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 TLR2 3196/4885ROCK2 677/4885PRKACA 973/4885

“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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