SCHEMBL15295147

SCHEMBL15295147

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

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSC P53634 3/20 0.56
ALPI P09923 1/20 0.51
PKM P14618 1/20 0.51
PTGS1 P23219 1/20 0.51
XIAP P98170 1/20 0.51
SLC7A5 Q01650 1/20 0.51
SLC15A1 P46059 1/20 0.49
CTSB P07858 2/20 0.48
CYP3A4 P08684 1/20 0.48
MAPK1 P28482 1/20 0.48
LTA4H P09960 1/20 0.47
CAPN1 P07384 2/20 0.46
CTSL P07711 1/20 0.45
ACE P12821 1/20 0.45
BACE1 P56817 1/20 0.43

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
SCHEMBL15883283 0.92 CTSC (0.47) CTSCALPIPKMPTGS1XIAP
SCHEMBL20204691 0.91 CTSC (0.58) CTSCALPIPKMPTGS1XIAP
SCHEMBL20204693 0.91 CTSC (0.58) CTSCALPIPKMPTGS1XIAP
SCHEMBL5670189 0.87 CTSC (0.55) CTSCALPIPKMPTGS1XIAP
SCHEMBL23463561 0.85 CTSB (0.58) CTSCALPIPKMPTGS1XIAP
SCHEMBL19166213 0.85 CTSB (0.54) CTSCSLC7A5CTSBCAPN1BACE1
SCHEMBL14391828 0.85 CTSB (0.54) CTSCSLC7A5CTSBCAPN1BACE1
SCHEMBL4318867 0.82 CTSC (0.50) CTSCALPIPKMPTGS1XIAP
SCHEMBL17740064 0.82 MMP2 (0.55) CTSCALPIPKMPTGS1XIAP
SCHEMBL9572282 0.82 CTSK (0.65) CTSCCTSBCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230372372-A1 COMBINATION THERAPIES USING CASPASE-1 DEPENDENT ANTICANCER AGENTS AND PGE2 ANTAGONISTS TRUSTEES OF TUFTS COLLEGE 2023-11-23 US disclosed
US-20140220056-A1 VACCINE COMPOSITION FOR TRANSDERMAL ADMINISTRATION NITTO DENKO CORPORATION (JP) 2014-08-07 US disclosed
WO-2013142961-A1 EGFL7 TARGETING AND/OR BINDING POLYPEPTIDES AND METHODS FOR INHIBITING ANGIOGENESIS LONDON HEALTH SCIENCES CENTRE RESEARCH INC. (CA) 2013-10-03 WO 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-20140220056-A1 VACCINE COMPOSITION FOR TRANSDERMAL ADMINISTRATION CD4, IFNG, CD69 CTSC 2590/4885ALPI 812/4885PKM 3991/4885
US-20230372372-A1 COMBINATION THERAPIES USING CASPASE-1 DEPENDENT ANTICANCER AGENTS AND PGE2 ANTAGONISTS CASP1, CASP2, APAF1 CTSC 297/4885ALPI 3892/4885PKM 3638/4885

“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.