SCHEMBL30799698

SCHEMBL30799698

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

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 12/20 0.57
▸ CTSD P07339 1/20 0.53
▸ MMP2 P08253 1/20 0.50
▸ OPRK1 P41145 1/20 0.48
▸ NPY1R P25929 1/20 0.48
▸ NPY2R P49146 1/20 0.48
▸ NPY4R P50391 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
SCHEMBL30799638 0.94 MMP2 (0.56) BACE1MMP2OPRK1NPY1RNPY2R
SCHEMBL30609958 0.93 BACE1 (0.51) BACE1CTSDMMP2OPRK1
SCHEMBL30609969 0.93 BACE1 (0.51) BACE1CTSDMMP2OPRK1
SCHEMBL30799335 0.93 MMP2 (0.55) BACE1CTSDMMP2OPRK1NPY1R
SCHEMBL31181232 0.92 BACE1 (0.53) BACE1CTSDOPRK1
SCHEMBL29798061 0.91 NPY4R (0.58) BACE1CTSDOPRK1NPY1RNPY2R
SCHEMBL30799561 0.91 BACE1 (0.54) BACE1CTSDMMP2OPRK1
SCHEMBL30497073 0.91 MMP2 (0.56) BACE1MMP2OPRK1NPY1RNPY2R
SCHEMBL31554972 0.91 MMP2 (0.56) BACE1MMP2OPRK1NPY1RNPY2R
SCHEMBL30688844 0.91 MMP2 (0.55) BACE1CTSDMMP2OPRK1NPY1R

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 2704/4885MMP2 347/4885

“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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