SCHEMBL30799729

SCHEMBL30799729

CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.56
BACE1 P56817 10/20 0.56
BACE2 Q9Y5Z0 2/20 0.56
CTSD P07339 1/20 0.54
LTA4H P09960 1/20 0.53

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
SCHEMBL30799581 0.96 PTPN1 (0.61) PTPN1BACE1BACE2
SCHEMBL30799523 0.96 PTPN1 (0.61) PTPN1BACE1BACE2
SCHEMBL30728874 0.91 LTA4H (0.59) BACE1BACE2CTSDLTA4H
SCHEMBL31325345 0.91 LTA4H (0.62) BACE1LTA4H
SCHEMBL31307273 0.91 PTPN1 (0.58) PTPN1BACE1BACE2
SCHEMBL30799695 0.90 BACE1 (0.58) PTPN1BACE1BACE2LTA4H
SCHEMBL29591054 0.90 BACE1 (0.56) BACE1BACE2CTSDLTA4H
SCHEMBL30799293 0.90 BACE1 (0.57) PTPN1BACE1LTA4H
SCHEMBL30799637 0.89 BACE1 (0.64) PTPN1BACE1BACE2LTA4H
SCHEMBL31004379 0.89 LTA4H (0.61) BACE1BACE2LTA4H

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 10/4885BACE2 38/4885

“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.