SCHEMBL30799951

SCHEMBL30799951

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

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 4/20 0.42
▸ BACE1 P56817 6/20 0.40
▸ LTA4H P09960 2/20 0.39
▸ OPRD1 P41143 3/20 0.39
▸ BACE2 Q9Y5Z0 2/20 0.35
▸ CCKAR P32238 1/20 0.34
▸ CCKBR P32239 1/20 0.34

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
SCHEMBL30799351 0.98 LTA4H (0.40) PTPN1BACE1LTA4HOPRD1
SCHEMBL30799934 0.92 BACE1 (0.45) PTPN1BACE1OPRD1BACE2
SCHEMBL30607941 0.92 BACE1 (0.41) PTPN1BACE1LTA4H
SCHEMBL29511114 0.92 BACE1 (0.41) PTPN1BACE1LTA4H
SCHEMBL29630414 0.91 OPRD1 (0.36) LTA4HOPRD1
SCHEMBL29590996 0.91 OPRD1 (0.36) LTA4HOPRD1
SCHEMBL29881615 0.90 PTPN1 (0.47) PTPN1BACE1BACE2
SCHEMBL30477909 0.89 MME (0.37) PTPN1BACE1BACE2
SCHEMBL29683929 0.89 BACE1 (0.47) PTPN1BACE1BACE2
SCHEMBL29630382 0.89 BACE1 (0.36) BACE1LTA4H

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 PTPN1 2414/4885BACE1 10/4885LTA4H 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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