SCHEMBL464708

SCHEMBL464708

CC(C)C[C@H](NC(=O)CNC(=O)[C@@H]1CCCN1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSC P53634 1/20 0.48
CTSB P07858 1/20 0.47
TERT O14746 1/20 0.47
ACE P12821 1/20 0.47
REN P00797 1/20 0.47
OPRM1 P35372 2/20 0.46
OPRD1 P41143 2/20 0.46
OPRK1 P41145 2/20 0.46
MMP2 P08253 1/20 0.45
MMP7 P09237 1/20 0.45
MMP9 P14780 1/20 0.45
MMP12 P39900 1/20 0.45
MMP13 P45452 1/20 0.45

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
SCHEMBL31151844 0.91 REN (0.51) CTSCCTSBRENOPRM1OPRD1
SCHEMBL30487449 0.90 CTSC (0.57) CTSCTERT
SCHEMBL30052990 0.90 CTSC (0.57) CTSCTERT
SCHEMBL30052854 0.86 CTSC (0.56) CTSCREN
SCHEMBL29630612 0.86 CTSC (0.53) CTSCCTSBTERTRENOPRM1
SCHEMBL29630530 0.86 CTSC (0.51) CTSCTERTRENOPRM1OPRD1
SCHEMBL10364374 0.85 CTSC (0.59) CTSCACEREN
SCHEMBL29630524 0.84 REN (0.54) CTSCREN
SCHEMBL29906308 0.84 MEN1 (0.43) CTSCCTSBTERTREN
SCHEMBL29570472 0.84 TERT (0.51) CTSCTERT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2408802-B1 CYCLIC AMINO ACID MOLECULES AND METHODS OF PREPARING THE SAME GOVERNING COUNCIL UNIV TORONTO (CA) 2017-05-03 EP disclosed
US-20120065366-A1 CYCLIC AMINO ACID MOLECULES AND METHODS OF PREPARING THE SAME THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2012-03-15 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-20120065366-A1 CYCLIC AMINO ACID MOLECULES AND METHODS OF PREPARING THE SAME DNPEP, ANPEP, BCAT1 CTSC 284/4885CTSB 2347/4885TERT 3443/4885

“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.