SCHEMBL29312730

SCHEMBL29312730

C[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=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(=O)CCC(=O)N1Cc2ccccc2C#Cc2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 8/20 0.39
▸ OPRD1 P41143 4/20 0.37
▸ OPRM1 P35372 1/20 0.37
▸ OPRK1 P41145 1/20 0.37
▸ PTPN1 P18031 1/20 0.36
▸ TACR3 P29371 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ CCKBR P32239 5/20 0.35
▸ CTSB P07858 1/20 0.35
▸ CCKAR P32238 2/20 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
SCHEMBL29311674 0.92 CTSB (0.40) KEAP1CTSB
SCHEMBL29312741 0.92 KEAP1 (0.42) KEAP1TACR3CCKBR
SCHEMBL29312765 0.92 KEAP1 (0.42) KEAP1TACR3CCKBR
SCHEMBL29311676 0.92 CTSB (0.40) KEAP1CTSB
SCHEMBL29312735 0.91 CTSB (0.47) KEAP1CTSB
SCHEMBL27274319 0.91 CTSB (0.47) KEAP1CTSB
SCHEMBL27273315 0.91 KEAP1 (0.46) KEAP1PTPN1TACR3CCKBR
SCHEMBL29312729 0.91 KEAP1 (0.46) KEAP1PTPN1TACR3CCKBR
SCHEMBL29313775 0.89 KEAP1 (0.45) KEAP1CCKBRCTSB
SCHEMBL29311718 0.88 CCKBR (0.43) KEAP1OPRD1PTPN1TACR3CCKBR

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 1835/4885OPRD1 3695/4885OPRM1 3615/4885

“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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