SCHEMBL6021045

SCHEMBL6021045

CS(=O)(=O)CC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC#N

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 4/20 0.52
CTSS P25774 6/20 0.49
CTSL P07711 4/20 0.49
CTSB P07858 4/20 0.49
CTSK P43235 2/20 0.49
MDM4 O15151 1/20 0.46
TP53 P04637 1/20 0.46

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
SCHEMBL6019406 0.91 CASP3 (0.48) CASP3MDM4TP53
SCHEMBL6019404 0.87 CASP3 (0.49) CASP3MDM4TP53
SCHEMBL7726774 0.86 CASP3 (0.62) CASP3MDM4TP53
SCHEMBL7713104 0.86 CASP3 (0.62) CASP3MDM4TP53
SCHEMBL6019554 0.85 CTSS (0.69) CTSSCTSLCTSBCTSK
SCHEMBL6019629 0.85 CTSS (0.51) CASP3CTSSCTSLCTSBCTSK
SCHEMBL6021051 0.84 CASP3 (0.50) CASP3MDM4TP53
SCHEMBL6019403 0.83 CASP3 (0.49) CASP3MDM4TP53
SCHEMBL6020815 0.82 CTSS (0.64) CTSSCTSLCTSBCTSK
SCHEMBL6446919 0.81 CASP3 (0.49) CASP3CTSSCTSLCTSBCTSK

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
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
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 CASP3 4210/4885CTSS 2720/4885CTSL 2274/4885

“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.