SCHEMBL4801116

SCHEMBL4801116

CC(C)(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC#N)CN1CCc2cc(F)ccc21

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSS P25774 17/20 0.58
CTSK P43235 8/20 0.58
CTSL P07711 12/20 0.55
SCN9A Q15858 1/20 0.42
AR P10275 1/20 0.41

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
SCHEMBL4801108 1.00 CTSS (0.58) CTSSCTSKCTSLSCN9AAR
SCHEMBL4795979 0.90 CTSS (0.46) CTSSCTSKCTSLSCN9AAR
SCHEMBL4795973 0.90 CTSS (0.46) CTSSCTSKCTSLSCN9AAR
SCHEMBL4800336 0.87 CTSS (0.72) CTSSCTSKCTSLSCN9A
SCHEMBL4800344 0.87 CTSS (0.72) CTSSCTSKCTSLSCN9A
SCHEMBL4799547 0.85 CTSS (0.58) CTSSCTSKCTSLSCN9A
SCHEMBL4799543 0.85 CTSS (0.58) CTSSCTSKCTSLSCN9A
SCHEMBL4799153 0.83 CTSS (0.83) CTSSCTSKCTSL
SCHEMBL4799146 0.83 CTSS (0.83) CTSSCTSKCTSL
SCHEMBL4799969 0.80 CTSS (0.59) CTSSCTSKCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080242671-A1 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2008-10-02 US claimed
US-20080242671-A1 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2008-10-02 US disclosed
US-7384970-B2 Inhibitors of cathepsin S IRM LLC (BM) 2008-06-10 US disclosed
US-20040248887-A1 Inhibitors of cathepsin S IRM LLC (BM) 2004-12-09 US disclosed
WO-2004084843-A2 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2004-10-07 WO 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 (2 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-20040248887-A1 Inhibitors of cathepsin S CTSS, CTSB, CTSZ CTSS 1/4885CTSK 9/4885CTSL 11/4885
US-20080242671-A1 INHIBITORS OF CATHEPSIN S CTSS, CTSB, CTSZ CTSS 1/4885CTSK 9/4885CTSL 11/4885

“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.