SCHEMBL6020765

SCHEMBL6020765

N#CCCNC(=O)C(N)Cc1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSC P53634 4/20 0.59
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
CTSS P25774 1/20 0.51
CTSK P43235 1/20 0.51
MMP2 P08253 1/20 0.49
SLC15A1 P46059 1/20 0.49
CA2 P00918 1/20 0.47
ANPEP P15144 1/20 0.47
RNPEP Q9H4A4 1/20 0.47
DNPEP Q9ULA0 1/20 0.47
LTA4H P09960 1/20 0.47

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
SCHEMBL6164462 0.90 CTSC (0.56) CTSCALPIPKMPTGS1XIAP
SCHEMBL6020910 0.87 SLC7A5 (0.51) CTSCSLC7A5MMP2
SCHEMBL5924660 0.86 CTSS (0.67) CTSCALPIPKMPTGS1XIAP
SCHEMBL5456972 0.86 CTSS (0.67) CTSCALPIPKMPTGS1XIAP
SCHEMBL16626138 0.86 CTSS (0.67) CTSCALPIPKMPTGS1XIAP
SCHEMBL21010316 0.86 SLC15A1 (0.64) CTSCALPIPKMPTGS1XIAP
SCHEMBL7039160 0.86 CTSC (0.51) CTSC
SCHEMBL6020723 0.84 NLN (0.52) CTSCCTSSCTSK
SCHEMBL18375234 0.83 ALPI (0.59) CTSCALPIPKMPTGS1XIAP
SCHEMBL9113781 0.83 ALPI (0.59) CTSCALPIPKMPTGS1XIAP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060252813-A1 Apparatus for curing a composite laminate JERINI AG (DE) 2006-11-09 US claimed
WO-2004056755-A2 COMPOUNDS FOR THE INHIBITION OF NON-PROTEOLYTIC ENZYMES JERENI AG (DE) 2004-07-08 WO claimed
EP-1433778-A1 Use of nitriles as rotamase inhibitors Jerini AG (DE) 2004-06-30 EP claimed
EP-1433779-A1 Use of nitriles as inhibitors of non-proteolytic enzymes Jerini AG (DE) 2004-06-30 EP claimed
US-20060252813-A1 Apparatus for curing a composite laminate JERINI AG (DE) 2006-11-09 US disclosed
EP-1433778-A1 Use of nitriles as rotamase inhibitors Jerini AG (DE) 2004-06-30 EP disclosed
EP-1433779-A1 Use of nitriles as inhibitors of non-proteolytic enzymes Jerini AG (DE) 2004-06-30 EP 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-20060252813-A1 Apparatus for curing a composite laminate DHX29, HDHD5, DHRS9 CTSC 4120/4885ALPI 4759/4885PKM 3921/4885

“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.