SCHEMBL29313240

SCHEMBL29313240

CC/C(N)=C/N(N)CCCCC(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(=O)CCC(=O)N1Cc2ccccc2C#Cc2ccccc21)C(N)=O

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 8/20 0.40
▸ CCKBR P32239 4/20 0.38
▸ TACR3 P29371 4/20 0.37
▸ QRFPR Q96P65 3/20 0.37
▸ APC P25054 1/20 0.35
▸ CCKAR P32238 1/20 0.35

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
SCHEMBL29311719 0.90 CCKBR (0.43) KEAP1CCKBRTACR3QRFPRCCKAR
SCHEMBL29311718 0.90 CCKBR (0.43) KEAP1CCKBRTACR3QRFPRCCKAR
SCHEMBL29313329 0.89 OPRL1 (0.41) KEAP1CCKBRTACR3QRFPR
SCHEMBL29312729 0.88 KEAP1 (0.46) KEAP1CCKBRTACR3APC
SCHEMBL27273315 0.88 KEAP1 (0.46) KEAP1CCKBRTACR3APC
SCHEMBL29313371 0.87 OPRL1 (0.39) KEAP1CCKBRTACR3QRFPR
SCHEMBL27273419 0.85 FOLH1 (0.43) —
SCHEMBL27274438 0.85 FOLH1 (0.43) —
SCHEMBL27272046 0.85 KEAP1 (0.41) KEAP1CCKBRTACR3APC
SCHEMBL29312765 0.85 KEAP1 (0.42) KEAP1CCKBRTACR3APC

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 332/4885TACR3 2926/4885

“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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