SCHEMBL6790738

SCHEMBL6790738

CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCC#N

nearest known ligand 0.83

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSS P25774 18/20 0.83
CTSK P43235 16/20 0.83
CTSB P07858 5/20 0.83
CTSL P07711 3/20 0.83
AKT1 P31749 1/20 0.66

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
SCHEMBL6019878 1.00 CTSS (0.83) CTSSCTSKCTSBCTSLAKT1
SCHEMBL3704293 0.95 CTSS (0.84) CTSSCTSKCTSBCTSLAKT1
SCHEMBL3704295 0.95 CTSS (0.84) CTSSCTSKCTSBCTSLAKT1
SCHEMBL6020639 0.91 CTSS (1.00) CTSSCTSKCTSBCTSL
SCHEMBL14599153 0.91 CTSS (1.00) CTSSCTSKCTSBCTSL
SCHEMBL6021008 0.90 CTSS (0.81) CTSSCTSKCTSBCTSLAKT1
SCHEMBL21010315 0.89 CTSS (0.79) CTSSCTSKCTSBCTSLAKT1
SCHEMBL2440946 0.89 CTSS (0.79) CTSSCTSKCTSBCTSLAKT1
SCHEMBL6020651 0.88 CTSS (0.65) CTSSCTSKCTSBCTSL
SCHEMBL6019886 0.87 CTSS (0.83) CTSSCTSKCTSBCTSL

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040006104-A1 Neutrophil inhibitors to reduce inflammatory response THE PROCTER & GAMBLE COMPANY 2004-01-08 US 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-20040006104-A1 Neutrophil inhibitors to reduce inflammatory response MPO, SERPINB1, NCF1 CTSS 144/4885CTSK 210/4885CTSB 87/4885

“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.