SCHEMBL6021095

SCHEMBL6021095

CSCC(NC(=O)NC(C)c1ccccc1)C(=O)NCCC#N

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CASR P41180 1/20 0.48
EPHX2 P34913 3/20 0.45
CTSL P07711 5/20 0.43
CTSS P25774 5/20 0.43
CTSB P07858 4/20 0.43
HSD17B10 Q99714 1/20 0.43
PSMB1 P20618 2/20 0.43
PSMB5 P28074 2/20 0.43
PSMB2 P49721 2/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CTSK P43235 3/20 0.41
POLB P06746 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 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
SCHEMBL6020412 0.90 CTSL (0.52) CASREPHX2CTSLCTSSCTSB
SCHEMBL6020418 0.90 CTSL (0.52) CASREPHX2CTSLCTSSCTSB
SCHEMBL6019531 0.87 CTSS (0.59) EPHX2CTSLCTSSCTSBPSMB1
SCHEMBL6021221 0.85 CASR (0.45) CASREPHX2CTSLCTSSCTSB
SCHEMBL6019619 0.84 CTSL (0.57) CTSLCTSSCTSBPSMB1PSMB5
SCHEMBL6021447 0.82 ANPEP (0.56) CTSLCTSSCTSBCTSKMAPT
SCHEMBL6020261 0.82 CTSL (0.58) CTSLCTSSCTSBCTSK
SCHEMBL6444345 0.81 ANPEP (0.54) CTSSPSMB1PSMB5PSMB2MEN1
SCHEMBL6021533 0.81 MMP9 (0.58) CTSLCTSSCTSBPSMB1PSMB5
SCHEMBL6019819 0.81 CASR (0.45) CASRCTSLCTSSCTSBCTSK

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 8 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
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-1575903-A1 COMPOUNDS FOR THE INHIBITION OF ROTAMASES Jerini AG (DE) 2005-09-21 EP disclosed
WO-2004065353-A1 COMPOUNDS FOR THE INHIBITION OF ROTAMASES JERINI AG (DE) 2004-08-05 WO 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 CASR 2874/4885EPHX2 8/4885CTSL 2274/4885

“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.