SCHEMBL21707852

SCHEMBL21707852

N[C@@H](CCc1ccccc1)C(=O)N[C@H](C=O)Cc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.59
CAPN1 P07384 6/20 0.53
CTSB P07858 4/20 0.52
CTSC P53634 3/20 0.52
CTSH P09668 1/20 0.52
CTSS P25774 1/20 0.52
CTSK P43235 1/20 0.52
CTSL P07711 1/20 0.46
ALPI P09923 1/20 0.45
PKM P14618 1/20 0.45
PTGS1 P23219 1/20 0.45
XIAP P98170 1/20 0.45
SLC7A5 Q01650 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
SCHEMBL20366197 0.89 CTSB (0.52) ACECAPN1CTSBCTSCCTSL
SCHEMBL20204693 0.88 CTSC (0.58) ACECAPN1CTSBCTSCCTSL
SCHEMBL20204691 0.88 CTSC (0.58) ACECAPN1CTSBCTSCCTSL
SCHEMBL14623960 0.86 CTSB (0.54) ACECAPN1CTSBCTSCCTSL
SCHEMBL2740206 0.86 CTSB (0.54) ACECAPN1CTSBCTSCCTSL
SCHEMBL23223533 0.85 MMP2 (0.62) ACECAPN1CTSB
SCHEMBL19663542 0.85 CAPN1 (0.58) ACECAPN1CTSBCTSCCTSH
SCHEMBL19365037 0.84 CTSB (0.53) ACECAPN1CTSBCTSCCTSL
SCHEMBL3497501 0.84 CTSB (0.53) ACECAPN1CTSBCTSCCTSL
SCHEMBL17521518 0.84 MMP2 (0.58) ACECAPN1CTSBCTSCCTSL

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
US-11124498-B2 Compositions and methods for modulating protease activity THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-09-21 US disclosed
US-20200048227-A1 COMPOSITIONS AND METHODS FOR MODULATING PROTEASE ACTIVITY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2020-02-13 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 (2 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-11124498-B2 Compositions and methods for modulating protease activity RNASE1, ADAM8, CTRL ACE 130/4885CAPN1 81/4885CTSB 8/4885
US-20200048227-A1 COMPOSITIONS AND METHODS FOR MODULATING PROTEASE ACTIVITY RNASE1, ADAM8, CTRL ACE 130/4885CAPN1 81/4885CTSB 8/4885

“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.