SCHEMBL5533909

SCHEMBL5533909

CC(C)(C)OC(=O)N(CCC1CCCCC1)C(=O)NCC#N

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSK P43235 13/20 0.50
CTSS P25774 10/20 0.50
CTSB P07858 6/20 0.41
CTSL P07711 5/20 0.41
EPHX1 P07099 1/20 0.35
CTSH P09668 1/20 0.35
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
CPB2 Q96IY4 1/20 0.34

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
SCHEMBL6873764 0.83 CTSB (0.45) CTSKCTSSCTSBCTSLEPHX1
SCHEMBL5529709 0.82 CTSK (0.43) CTSKCTSSCTSBCTSLEPHX1
SCHEMBL5534174 0.82 CTSK (0.40) CTSKCTSSCTSBCTSLEPHX1
SCHEMBL5526083 0.82 CTSK (0.45) CTSKCTSSCTSBCTSLCTSH
SCHEMBL5533906 0.80 CTSK (0.40) CTSKCTSSCTSBCTSLEPHX1
SCHEMBL5517734 0.78 CTSK (0.45) CTSKCTSSCTSBCTSLALDH1A1
SCHEMBL5528481 0.78 CTSS (0.47) CTSKCTSSCTSBCTSLALDH1A1
SCHEMBL6183560 0.78 CTSS (0.46) CTSKCTSSCTSBCTSL
SCHEMBL5527653 0.76 KDM5A (0.47) CTSKCTSSCTSBCTSLEPHX1
SCHEMBL5525354 0.75 CASR (0.45) CTSKCTSSCTSBCTSLMEN1

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-20070015755-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2007-01-18 US disclosed
EP-1452522-A2 Novel compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2004-09-01 EP disclosed
US-20040147745-A1 Novel compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2004-07-29 US disclosed
EP-1178958-B1 N-CYANOMETHYL AMIDES AS PROTEASE INHIBITORS AXYS PHARM INC (US) 2004-02-18 EP disclosed
US-20030096796-A1 Novel compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2003-05-22 US disclosed
US-6455502-B1 Compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. 2002-09-24 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 (3 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-20030096796-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 CTSK 32/4885CTSS 10/4885CTSB 11/4885
US-20040147745-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 CTSK 32/4885CTSS 10/4885CTSB 11/4885
US-20070015755-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS CTRL, SERPINB1, CPN1 CTSK 32/4885CTSS 10/4885CTSB 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.