SCHEMBL6020119

SCHEMBL6020119

C=CC(=O)NC(CSC)C(=O)NCCC#N

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.35
CTSS P25774 2/20 0.34
CTSK P43235 2/20 0.34
JAK3 P52333 1/20 0.32
ZDHHC20 Q5W0Z9 1/20 0.30
ZDHHC2 Q9UIJ5 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPK1 P28482 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL6021464 0.87 CTSS (0.45) TSHRCTSSCTSK
SCHEMBL6021798 0.84 ALDH1A1 (0.38) CTSSCTSKALDH1A1
SCHEMBL6019412 0.82 CTSS (0.43) CTSSCTSKALDH1A1
SCHEMBL6019380 0.81 CTSB (0.34) TSHRCTSSJAK3
SCHEMBL6020460 0.80 CTSS (0.44) CTSSCTSK
SCHEMBL6021172 0.79 CTSS (0.37) CTSSCTSK
SCHEMBL6019370 0.78 TGFBR1 (0.40) CTSSCTSK
SCHEMBL6020122 0.77 TSHR (0.41) TSHRCTSSCTSK
SCHEMBL6020005 0.77 CTSS (0.36) CTSSCTSK
SCHEMBL6020576 0.77 CTSS (0.36) TSHRCTSSCTSK

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 11 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
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 TSHR 2910/4885CTSS 2720/4885CTSK 2529/4885

“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.