SCHEMBL30799501

SCHEMBL30799501

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

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 18/20 0.67
CTSD P07339 1/20 0.61
BACE2 Q9Y5Z0 4/20 0.60
PTPN1 P18031 2/20 0.59

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
SCHEMBL30799543 0.94 PTPN1 (0.64) BACE1CTSDBACE2PTPN1
SCHEMBL30799641 0.94 PTPN1 (0.64) BACE1CTSDBACE2PTPN1
SCHEMBL30799912 0.93 BACE1 (0.64) BACE1CTSDBACE2PTPN1
SCHEMBL30799606 0.92 BACE1 (0.60) BACE1CTSDBACE2PTPN1
SCHEMBL30799743 0.91 BACE1 (0.68) BACE1CTSDBACE2PTPN1
SCHEMBL30799677 0.91 PTPN1 (0.61) BACE1CTSDBACE2PTPN1
SCHEMBL30799664 0.91 PTPN1 (0.61) BACE1CTSDPTPN1
SCHEMBL30567793 0.91 BACE1 (0.67) BACE1CTSDBACE2
SCHEMBL30799790 0.90 BACE1 (0.63) BACE1CTSDBACE2
SCHEMBL30799370 0.90 PTPN1 (0.66) BACE1CTSDBACE2PTPN1

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 2704/4885BACE2 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.