SCHEMBL30799430

SCHEMBL30799430

C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCO)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 9/20 0.45
▸ PTPN1 P18031 3/20 0.44
▸ LTA4H P09960 2/20 0.41
▸ GNPAT O15228 1/20 0.41
▸ BACE2 Q9Y5Z0 1/20 0.41
▸ CTSD P07339 1/20 0.41
▸ OPRM1 P35372 1/20 0.40
▸ OPRD1 P41143 1/20 0.40
▸ OPRK1 P41145 1/20 0.40

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
SCHEMBL18286725 0.92 BACE1 (0.46) BACE1PTPN1LTA4H
SCHEMBL30799262 0.92 BACE1 (0.51) BACE1PTPN1BACE2CTSD
SCHEMBL30799841 0.91 BACE1 (0.53) BACE1PTPN1LTA4HCTSDOPRM1
SCHEMBL30799481 0.91 BACE1 (0.51) BACE1PTPN1LTA4HBACE2OPRM1
SCHEMBL30799391 0.89 BACE1 (0.54) BACE1PTPN1BACE2CTSD
SCHEMBL30799953 0.89 BACE1 (0.51) BACE1BACE2CTSDOPRD1
SCHEMBL30475883 0.89 PTPN1 (0.51) BACE1PTPN1BACE2
SCHEMBL31031625 0.89 BACE1 (0.46) BACE1PTPN1OPRK1
SCHEMBL31534594 0.88 MME (0.46) —
SCHEMBL30475879 0.88 MME (0.46) —

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 10/4885PTPN1 2414/4885LTA4H 4132/4885

“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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