SCHEMBL29311919

SCHEMBL29311919

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

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 8/20 0.56
▸ CCKBR P32239 8/20 0.51
▸ APC P25054 2/20 0.48
▸ OPRD1 P41143 4/20 0.47
▸ CCKAR P32238 3/20 0.47

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
SCHEMBL27268466 0.96 KEAP1 (0.51) KEAP1CCKBROPRD1CCKAR
SCHEMBL29311714 0.90 CCKBR (0.50) CCKBROPRD1CCKAR
SCHEMBL29311715 0.90 CCKBR (0.50) CCKBROPRD1CCKAR
SCHEMBL27273355 0.88 QRFPR (0.48) —
SCHEMBL26464937 0.87 KEAP1 (0.53) KEAP1CCKBROPRD1CCKAR
SCHEMBL26464896 0.87 KEAP1 (0.53) KEAP1CCKBROPRD1CCKAR
SCHEMBL29311915 0.86 KEAP1 (0.50) KEAP1CCKBROPRD1CCKAR
SCHEMBL29311988 0.86 KEAP1 (0.50) KEAP1CCKBROPRD1CCKAR
SCHEMBL29311906 0.86 CTSB (0.60) OPRD1
SCHEMBL27268400 0.86 CTSB (0.60) OPRD1

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-20240228671-A1 POLYPEPTIDYL LINKERS Quantum-Si Incorporated (US) 2024-07-11 — — 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-20240228671-A1 POLYPEPTIDYL LINKERS VIP, DNPEP, PREP KEAP1 1835/4885CCKBR 332/4885APC 161/4885

“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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