SCHEMBL25877236

SCHEMBL25877236

C[C@@H](CC(N)=O)OCNC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)CCCCCN1C(=O)C=CC1=O

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 1/20 0.44
▸ OPRD1 P41143 7/20 0.39
▸ OPRM1 P35372 5/20 0.39
▸ OPRK1 P41145 2/20 0.39
▸ REN P00797 1/20 0.38
▸ CTSB P07858 1/20 0.37
▸ PSMB5 P28074 1/20 0.37

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
SCHEMBL25877071 1.00 AKT1 (0.44) AKT1OPRD1OPRM1OPRK1REN
SCHEMBL25877257 1.00 AKT1 (0.44) AKT1OPRD1OPRM1OPRK1REN
SCHEMBL26348504 0.94 AKT1 (0.45) AKT1OPRD1OPRM1OPRK1REN
SCHEMBL25877186 0.89 AKT1 (0.42) AKT1OPRD1OPRM1PSMB5
SCHEMBL26503041 0.89 AKT1 (0.47) AKT1OPRD1OPRM1OPRK1REN
SCHEMBL24037988 0.88 AKT1 (0.44) AKT1OPRD1OPRM1OPRK1REN
SCHEMBL26572207 0.88 CHRND (0.46) OPRD1OPRM1OPRK1
SCHEMBL25878481 0.88 CHRND (0.46) OPRD1OPRM1OPRK1
SCHEMBL22757219 0.88 AKT1 (0.47) AKT1OPRD1OPRM1OPRK1
SCHEMBL20345224 0.87 AKT1 (0.45) AKT1OPRD1OPRM1OPRK1PSMB5

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-20230212182-A1 ANTI-TUMOR COMPOUND AND PREPARATION METHOD AND USE THEREOF DUALITY BIOLOGICS (SUZHOU) CO., LTD. (CN) 2023-07-06 — — 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-20230212182-A1 ANTI-TUMOR COMPOUND AND PREPARATION METHOD AND USE THEREOF RCC2, REN, VHL AKT1 2403/4885OPRD1 2192/4885OPRM1 319/4885

“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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