SCHEMBL24312458

SCHEMBL24312458

CC(C)COC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN1C(=O)C=CC1=O)C(=O)OCC(C)C

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.47
CDYL2 Q8N8U2 2/20 0.40
CBX7 O95931 1/20 0.40
CBX8 Q9HC52 1/20 0.40
NOD2 Q9HC29 1/20 0.40
PSMB5 P28074 8/20 0.39
OPRK1 P41145 3/20 0.39
CTSL P07711 1/20 0.38
OPRD1 P41143 3/20 0.38
OPRM1 P35372 2/20 0.38

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
SCHEMBL24312459 0.89 AKT1 (0.45) AKT1PSMB5OPRK1CTSL
SCHEMBL23983118 0.85 CDYL2 (0.43) AKT1CDYL2CBX7CBX8NOD2
SCHEMBL31374732 0.85 AKT1 (0.61) AKT1PSMB5CTSLOPRD1
SCHEMBL28620433 0.85 AKT1 (0.61) AKT1PSMB5CTSLOPRD1
SCHEMBL24312460 0.83 AKT1 (0.43) AKT1PSMB5OPRK1
SCHEMBL23983063 0.78 GPR139 (0.37) CDYL2CBX7CBX8
SCHEMBL29309809 0.77 AKT1 (0.69) AKT1PSMB5CTSL
SCHEMBL22207325 0.77 AKT1 (0.69) AKT1PSMB5CTSL
SCHEMBL22207323 0.77 AKT1 (0.69) AKT1PSMB5CTSL
SCHEMBL28922741 0.77 AKT1 (0.56) AKT1CTSL

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-20220105194-A1 CONJUGATE COMPRISING LIGAND, SPACER, PEPTIDE LINKER, AND BIOMOLECULE ASTELLAS PHARMA INC. (JP) 2022-04-07 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-20220105194-A1 CONJUGATE COMPRISING LIGAND, SPACER, PEPTIDE LINKER, AND BIOMOLECULE MUC1, CA14, CA13 AKT1 4878/4885CDYL2 2704/4885CBX7 4534/4885

“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.