SCHEMBL6021458

SCHEMBL6021458

CSCC(NC(=O)C=CC(=O)O)C(=O)NCC#N

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSS P25774 12/20 0.44
CTSK P43235 10/20 0.44
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
CTSL P07711 7/20 0.38
CTSB P07858 4/20 0.38
TAAR1 Q96RJ0 1/20 0.35

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
SCHEMBL6021798 0.89 ALDH1A1 (0.38) CTSSCTSKALDH1A1GAACTSL
SCHEMBL6021464 0.84 CTSS (0.45) CTSSCTSKCTSLCTSB
SCHEMBL6019381 0.80 CTSS (0.43) CTSSCTSKALDH1A1GAACTSL
SCHEMBL6020176 0.80 CTSS (0.57) CTSSCTSKCTSLCTSB
SCHEMBL4951996 0.79 ALDH1A1 (0.52) ALDH1A1GAATAAR1
SCHEMBL4951991 0.79 ALDH1A1 (0.52) ALDH1A1GAATAAR1
SCHEMBL6021452 0.77 ALDH1A1 (0.40) CTSSCTSKALDH1A1GAACTSL
SCHEMBL6021456 0.77 ALDH1A1 (0.40) CTSSCTSKALDH1A1GAACTSL
SCHEMBL6019398 0.77 CTSS (0.57) CTSSCTSKCTSLCTSB
SCHEMBL6020129 0.77 CTSS (0.70) CTSSCTSKCTSLCTSBTAAR1

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 CTSS 2720/4885CTSK 2529/4885ALDH1A1 662/4885

“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.