SCHEMBL6021029

SCHEMBL6021029

CSCC(NC(=S)Nc1ccc(CC(F)(F)F)cc1)C(=O)NCC#N

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSS P25774 13/20 0.40
CTSK P43235 10/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CTSL P07711 10/20 0.39
CTSB P07858 3/20 0.38

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
SCHEMBL6021360 0.91 CA1 (0.36) CTSSCTSKCA1CA2CTSL
SCHEMBL6021604 0.87 CTSS (0.57) CTSSCTSKCA1CA2CTSL
SCHEMBL6020178 0.86 CTSS (0.42) CTSSCTSKCA1CA2CTSL
SCHEMBL6019622 0.86 CTSS (0.56) CTSSCTSKCA1CA2CTSL
SCHEMBL6020681 0.84 LMNA (0.50) CA1CA2
SCHEMBL6019419 0.84 GAA (0.49) CTSSCTSKCA1CA2CTSL
SCHEMBL6020918 0.82 RAB9A (0.46) CTSSCTSKCTSLCTSB
SCHEMBL6020434 0.82 CTSB (0.59) CTSSCTSKCTSLCTSB
SCHEMBL6021356 0.81 CA1 (0.36) CTSSCTSKCA1CA2CTSL
SCHEMBL6021268 0.80 ALDH1A1 (0.48) CA1CA2

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 12 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-1575903-A1 COMPOUNDS FOR THE INHIBITION OF ROTAMASES Jerini AG (DE) 2005-09-21 EP claimed
WO-2004065353-A1 COMPOUNDS FOR THE INHIBITION OF ROTAMASES JERINI AG (DE) 2004-08-05 WO 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-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
WO-2004056755-A2 COMPOUNDS FOR THE INHIBITION OF NON-PROTEOLYTIC ENZYMES JERENI AG (DE) 2004-07-08 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 CTSS 2720/4885CTSK 2529/4885CA1 1403/4885

“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.