SCHEMBL6020005

SCHEMBL6020005

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

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSS P25774 4/20 0.36
CTSK P43235 3/20 0.36
FNTA P49354 2/20 0.36
FNTB P49356 2/20 0.36
PGGT1B P53609 1/20 0.36
CTSB P07858 2/20 0.35
CTSL P07711 1/20 0.35
GNPAT O15228 1/20 0.35
PTPN1 P18031 2/20 0.34
MAPT P10636 1/20 0.33
HSD17B10 Q99714 1/20 0.32
MME P08473 1/20 0.32
ECE1 P42892 1/20 0.31

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
SCHEMBL6021078 0.89 CTSS (0.45) CTSSCTSKCTSBCTSLGNPAT
SCHEMBL6020152 0.82 CTSB (0.36) CTSSCTSKCTSBCTSLGNPAT
SCHEMBL6019412 0.81 CTSS (0.43) CTSSCTSKCTSBCTSLMAPT
SCHEMBL6020576 0.81 CTSS (0.36) CTSSCTSKCTSBCTSLMAPT
SCHEMBL6020460 0.79 CTSS (0.44) CTSSCTSKCTSBCTSL
SCHEMBL6020009 0.78 DPP4 (0.39) CTSSCTSBGNPATMME
SCHEMBL6021798 0.77 ALDH1A1 (0.38) CTSSCTSKCTSBCTSL
SCHEMBL6020972 0.77 CTSS (0.60) CTSSCTSKCTSBCTSLPTPN1
SCHEMBL6447810 0.77 MAPT (0.37) MAPTHSD17B10ECE1
SCHEMBL6020119 0.77 TSHR (0.35) CTSSCTSK

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 6 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-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 CTSS 2720/4885CTSK 2529/4885FNTA 4574/4885

“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.