SCHEMBL24312460

SCHEMBL24312460

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

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.43
OPRK1 P41145 8/20 0.43
REN P00797 1/20 0.42
GNPAT O15228 1/20 0.39
CTSC P53634 1/20 0.39
EED O75530 1/20 0.39
FAAH O00519 1/20 0.39
MGLL Q99685 1/20 0.39
LTA4H P09960 1/20 0.39
PSMB1 P20618 1/20 0.39
PSMB8 P28062 1/20 0.39
PSMB9 P28065 1/20 0.39
PSMB5 P28074 1/20 0.39
PSMB10 P40306 1/20 0.39
PSMB2 P49721 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
SCHEMBL24312459 0.87 AKT1 (0.45) AKT1OPRK1GNPATPSMB5
SCHEMBL28620268 0.86 AKT1 (0.55) AKT1OPRK1GNPATCTSCFAAH
SCHEMBL28620270 0.86 AKT1 (0.55) AKT1OPRK1GNPATCTSCFAAH
SCHEMBL24312458 0.83 AKT1 (0.47) AKT1OPRK1PSMB5
SCHEMBL31374740 0.78 AKT1 (0.43) AKT1OPRK1RENGNPATPSMB1
SCHEMBL29309810 0.77 OPRD1 (0.47) AKT1OPRK1GNPAT
SCHEMBL23983118 0.76 CDYL2 (0.43) AKT1
SCHEMBL21952759 0.75 CTSC (0.52) OPRK1CTSCLTA4H
SCHEMBL5967176 0.75 CTSC (0.52) OPRK1CTSCLTA4H
SCHEMBL22207323 0.74 AKT1 (0.69) AKT1RENPSMB8PSMB9PSMB5

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 4878/4885OPRK1 3490/4885REN 4446/4885

“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.