SCHEMBL29311714

SCHEMBL29311714

CCCCCC(NC(=O)C(Cc1ccccc1)NC(=O)C(Cc1ccccc1)NC(=O)C(CC(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(CC(=O)O)NC(=O)CNC(=O)CNC(=O)CNC(=O)C(CC(=O)O)NC(=O)C(CC(=O)O)NC(C)C)C(N)=O

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CCKBR P32239 6/20 0.50
▸ OPRD1 P41143 5/20 0.50
▸ CCKAR P32238 4/20 0.50
▸ QRFPR Q96P65 3/20 0.49
▸ PTPN1 P18031 1/20 0.49
▸ MMP2 P08253 9/20 0.48
▸ MMP1 P03956 4/20 0.48
▸ MMP3 P08254 4/20 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
SCHEMBL29311715 1.00 CCKBR (0.50) CCKBROPRD1CCKARQRFPRPTPN1
SCHEMBL27273355 0.93 QRFPR (0.48) QRFPR
SCHEMBL27268466 0.92 KEAP1 (0.51) CCKBROPRD1CCKARQRFPR
SCHEMBL29311919 0.90 KEAP1 (0.56) CCKBROPRD1CCKAR
SCHEMBL29313289 0.89 QRFPR (0.47) CCKBROPRD1CCKARQRFPR
SCHEMBL27272114 0.89 QRFPR (0.47) CCKBROPRD1CCKARQRFPR
SCHEMBL29311906 0.86 CTSB (0.60) OPRD1
SCHEMBL27268400 0.86 CTSB (0.60) OPRD1
SCHEMBL29313281 0.84 QRFPR (0.49) QRFPR
SCHEMBL29313314 0.84 QRFPR (0.49) QRFPR

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 CCKBR 332/4885OPRD1 3695/4885CCKAR 613/4885

“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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