SCHEMBL29311719

SCHEMBL29311719

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(=O)CCC(=O)N1Cc2ccccc2C#Cc2ccccc21)C(N)=O

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CCKBR P32239 9/20 0.43
▸ PTPN1 P18031 2/20 0.43
▸ KEAP1 Q14145 6/20 0.42
▸ CCKAR P32238 4/20 0.40
▸ QRFPR Q96P65 1/20 0.40
▸ OPRD1 P41143 4/20 0.40
▸ TACR3 P29371 1/20 0.39

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
SCHEMBL29311718 1.00 CCKBR (0.43) CCKBRPTPN1KEAP1CCKARQRFPR
SCHEMBL29313329 0.94 OPRL1 (0.41) CCKBRKEAP1QRFPRTACR3
SCHEMBL29312729 0.94 KEAP1 (0.46) CCKBRPTPN1KEAP1TACR3
SCHEMBL27273315 0.94 KEAP1 (0.46) CCKBRPTPN1KEAP1TACR3
SCHEMBL29313371 0.93 OPRL1 (0.39) CCKBRKEAP1QRFPROPRD1TACR3
SCHEMBL27274438 0.91 FOLH1 (0.43) —
SCHEMBL27273419 0.91 FOLH1 (0.43) —
SCHEMBL29313240 0.90 KEAP1 (0.40) CCKBRKEAP1CCKARQRFPRTACR3
SCHEMBL29312765 0.90 KEAP1 (0.42) CCKBRKEAP1TACR3
SCHEMBL29312741 0.90 KEAP1 (0.42) CCKBRKEAP1TACR3

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 332/4885PTPN1 3902/4885KEAP1 1835/4885

“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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