SCHEMBL30799591

SCHEMBL30799591

C[C@H](NC(=O)[C@H](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](CCO)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 13/20 0.56
PTPN1 P18031 3/20 0.55
BACE2 Q9Y5Z0 2/20 0.50
GNPAT O15228 1/20 0.49
CTSD P07339 1/20 0.48

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
SCHEMBL30799846 0.95 BACE1 (0.59) BACE1PTPN1BACE2CTSD
SCHEMBL30799686 0.93 OPRD1 (0.56) BACE1PTPN1BACE2
SCHEMBL30799383 0.92 BACE1 (0.63) BACE1PTPN1BACE2CTSD
SCHEMBL30799695 0.92 BACE1 (0.58) BACE1PTPN1BACE2
SCHEMBL30799836 0.91 BACE1 (0.64) BACE1PTPN1CTSD
SCHEMBL30799740 0.90 LTA4H (0.58) BACE1PTPN1BACE2
SCHEMBL30799809 0.90 PTPN1 (0.60) BACE1PTPN1BACE2CTSD
SCHEMBL30799650 0.90 OPRD1 (0.55) BACE1PTPN1GNPAT
SCHEMBL31181273 0.89 BACE1 (0.54) BACE1PTPN1BACE2GNPAT
SCHEMBL30799353 0.88 BACE1 (0.65) BACE1PTPN1BACE2CTSD

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 2414/4885BACE2 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.