SCHEMBL30799934

SCHEMBL30799934

CC(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 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 11/20 0.45
▸ OPRD1 P41143 1/20 0.44
▸ PTPN1 P18031 3/20 0.40
▸ BACE2 Q9Y5Z0 3/20 0.39
▸ CTSD P07339 1/20 0.37
▸ CASP3 P42574 1/20 0.37
▸ CASP7 P55210 1/20 0.37
▸ CALCRL Q16602 1/20 0.37

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
SCHEMBL29421173 0.94 BACE1 (0.38) BACE1OPRD1CTSDCASP3CASP7
SCHEMBL30799951 0.92 PTPN1 (0.42) BACE1OPRD1PTPN1BACE2
SCHEMBL30799953 0.92 BACE1 (0.51) BACE1OPRD1BACE2CTSD
SCHEMBL30038651 0.91 OPRD1 (0.43) BACE1OPRD1BACE2CTSD
SCHEMBL30799351 0.90 LTA4H (0.40) BACE1OPRD1PTPN1
SCHEMBL29511114 0.88 BACE1 (0.41) BACE1PTPN1CTSD
SCHEMBL30607941 0.88 BACE1 (0.41) BACE1PTPN1CTSD
SCHEMBL31514368 0.88 BACE1 (0.49) BACE1PTPN1BACE2CTSD
SCHEMBL29421174 0.87 BACE1 (0.37) BACE1OPRD1CTSD
SCHEMBL30567410 0.87 BACE1 (0.38) BACE1OPRD1CTSDCASP3CASP7

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 10/4885OPRD1 4412/4885PTPN1 2414/4885

“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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