SCHEMBL5534174

SCHEMBL5534174

COCCOC(=O)N(CCC1CCCCC1)C(=O)NCC#N

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSK P43235 7/20 0.40
CTSL P07711 5/20 0.39
CTSB P07858 5/20 0.39
CTSS P25774 4/20 0.38
FKBP1A P62942 3/20 0.33
CTSH P09668 1/20 0.33
JAK3 P52333 3/20 0.33
JAK1 P23458 2/20 0.33
EPHX1 P07099 1/20 0.32
EPHX2 P34913 1/20 0.32

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
SCHEMBL5526083 0.84 CTSK (0.45) CTSKCTSLCTSBCTSSCTSH
SCHEMBL5533909 0.82 CTSK (0.50) CTSKCTSLCTSBCTSSCTSH
SCHEMBL5534173 0.81 CTSK (0.38) CTSKCTSLCTSBCTSHJAK3
SCHEMBL6873764 0.80 CTSB (0.45) CTSKCTSLCTSBCTSSCTSH
SCHEMBL5528481 0.79 CTSS (0.47) CTSKCTSLCTSBCTSS
SCHEMBL5526362 0.73 ALDH1A1 (0.43) CTSKCTSLCTSBCTSS
SCHEMBL5527653 0.73 KDM5A (0.47) CTSKCTSLCTSBCTSSEPHX1
SCHEMBL6874659 0.72 CTSK (0.40) CTSKCTSLCTSBCTSSCTSH
SCHEMBL6875724 0.72 CTSK (0.52) CTSKCTSLCTSBCTSS
SCHEMBL5529709 0.70 CTSK (0.43) CTSKCTSLCTSBCTSSEPHX1

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-20070015755-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2007-01-18 US 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 32/4885CTSL 14/4885CTSB 11/4885
US-20040147745-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 CTSK 32/4885CTSL 14/4885CTSB 11/4885
US-20070015755-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS CTRL, SERPINB1, CPN1 CTSK 32/4885CTSL 14/4885CTSB 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.