SCHEMBL6019828

SCHEMBL6019828

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

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
GAA P10253 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CTSS P25774 8/20 0.35
CTSB P07858 7/20 0.35
CTSL P07711 1/20 0.35
TAAR1 Q96RJ0 1/20 0.32
CTSK P43235 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
SCHEMBL6019381 0.90 CTSS (0.43) ALDH1A1GAACTSSCTSBCTSL
SCHEMBL6019380 0.85 CTSB (0.34) CTSSCTSBCTSL
SCHEMBL6021798 0.82 ALDH1A1 (0.38) ALDH1A1GAAMEN1KMT2ACTSS
SCHEMBL6020339 0.81 CTSS (0.42) ALDH1A1KMT2ACTSSCTSBCTSL
SCHEMBL6019899 0.79 CTSS (0.38) CTSSCTSBCTSLCTSK
SCHEMBL6020152 0.79 CTSB (0.36) CTSSCTSBCTSLCTSK
SCHEMBL6019836 0.79 CTSS (0.33) CTSSCTSBCTSLCTSK
SCHEMBL6021047 0.77 TGFBR1 (0.41) CTSSCTSBCTSLCTSK
SCHEMBL6446135 0.76 KMT2A (0.36) ALDH1A1GAAMEN1KMT2ATAAR1
SCHEMBL6019430 0.76 CTSS (0.33) ALDH1A1CTSSCTSBCTSLCTSK

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-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-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 ALDH1A1 662/4885GAA 3708/4885MEN1 4215/4885

“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.