SCHEMBL5523324

SCHEMBL5523324

CN(C(=O)C(CC1CCCCC1)C(=O)NCC#N)C(C)(C)C

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSK P43235 13/20 0.56
CTSS P25774 7/20 0.56
CTSL P07711 9/20 0.49
CTSB P07858 7/20 0.49
CTSH P09668 2/20 0.43
CPB2 Q96IY4 1/20 0.36

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
SCHEMBL5530609 0.87 CTSK (0.52) CTSKCTSSCTSLCTSBCTSH
SCHEMBL5526359 0.84 CTSK (0.60) CTSKCTSSCTSLCTSBCTSH
SCHEMBL5527029 0.83 CTSK (0.54) CTSKCTSSCTSLCTSBCTSH
SCHEMBL5534402 0.82 CTSK (0.39) CTSKCTSSCTSLCTSBCTSH
SCHEMBL5530376 0.82 CTSK (0.58) CTSKCTSSCTSLCTSBCTSH
SCHEMBL5529760 0.81 CTSK (0.47) CTSKCTSSCTSLCTSBCTSH
SCHEMBL5523250 0.80 CTSK (0.51) CTSKCTSSCTSLCTSBCTSH
SCHEMBL5534210 0.80 PSEN1 (0.46) CTSKCTSSCTSLCTSBCTSH
SCHEMBL5520695 0.79 CTSK (0.55) CTSKCTSSCTSLCTSBCTSH
SCHEMBL5518465 0.77 CTSK (0.54) CTSKCTSSCTSLCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040147503-A1 Antiarthritic agents; muscular dystrophy; antiinflammatory agents; antitumor agents; glomerulonephritis AXYS PHARMACEUTICALS, INC. 2004-07-29 US claimed
US-20070232654-A1 Novel Compounds and Compositions as Cathepsin Inhibitors AXYS PHARMACEUTICALS, INC. (US) 2007-10-04 US disclosed
EP-1399146-A4 NOVEL COMPOUNDS AND COMPOSITIONS AS CATHEPSIN INHIBITORS AXYS PHARM INC (US) 2006-01-18 EP disclosed
US-20040147503-A1 Antiarthritic agents; muscular dystrophy; antiinflammatory agents; antitumor agents; glomerulonephritis AXYS PHARMACEUTICALS, INC. 2004-07-29 US disclosed
EP-1399146-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS CATHEPSIN INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2004-03-24 EP disclosed
WO-2002098406-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS CATHEPSIN INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-12-12 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-20070232654-A1 Novel Compounds and Compositions as Cathepsin Inhibitors CTSS, CTSB, CTSE CTSK 8/4885CTSS 1/4885CTSL 11/4885
US-20040147503-A1 Antiarthritic agents; muscular dystrophy; antiinflammatory agents; antitumor agents; glomerulonephritis CAPNS1, CTSS, CTSV CTSK 14/4885CTSS 2/4885CTSL 19/4885

“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.