SCHEMBL30799561

SCHEMBL30799561

C[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 12/20 0.54
▸ CTSD P07339 1/20 0.50
▸ GNPAT O15228 1/20 0.49
▸ MMP2 P08253 1/20 0.49
▸ OPRK1 P41145 1/20 0.47

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
SCHEMBL31181197 0.96 BACE1 (0.54) BACE1CTSDGNPATOPRK1
SCHEMBL29794844 0.95 BACE1 (0.57) BACE1CTSD
SCHEMBL30799817 0.94 MMP2 (0.55) GNPATMMP2OPRK1
SCHEMBL31482981 0.93 MMP2 (0.57) BACE1GNPATMMP2
SCHEMBL31554972 0.92 MMP2 (0.56) BACE1GNPATMMP2OPRK1
SCHEMBL30497073 0.92 MMP2 (0.56) BACE1GNPATMMP2OPRK1
SCHEMBL30799335 0.92 MMP2 (0.55) BACE1CTSDGNPATMMP2OPRK1
SCHEMBL30799698 0.91 BACE1 (0.57) BACE1CTSDMMP2OPRK1
SCHEMBL30688851 0.91 MMP2 (0.57) BACE1GNPATMMP2OPRK1
SCHEMBL30688849 0.91 MMP2 (0.57) BACE1GNPATMMP2OPRK1

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-20240116985-A1 STAPLED PEPTIDES AND METHODS THEREOF PARABILIS MEDICINES, INC. 2024-04-11 — — 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-20240116985-A1 STAPLED PEPTIDES AND METHODS THEREOF CTNNB1, APC, CTNNA1 BACE1 10/4885CTSD 2704/4885GNPAT 3689/4885

“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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