SCHEMBL5528477

SCHEMBL5528477

CN(C#N)C(=O)N(CCC1CCCCC1)C(=O)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSL P07711 4/20 0.49
CTSB P07858 4/20 0.49
CTSS P25774 4/20 0.49
CTSK P43235 4/20 0.49
SIGMAR1 Q99720 1/20 0.45
ENPP2 Q13822 1/20 0.43
ACHE P22303 2/20 0.39
BCHE P06276 1/20 0.39
TSHR P16473 1/20 0.38
PREP P48147 2/20 0.38
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CASP1 P29466 1/20 0.38
CCR5 P51681 1/20 0.37

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
SCHEMBL5528481 0.83 CTSS (0.47) CTSLCTSBCTSSCTSKSIGMAR1
SCHEMBL5526081 0.78 CTSK (0.43) CTSLCTSBCTSSCTSKACHE
SCHEMBL6183071 0.78 ALDH1A1 (0.43) CTSLCTSBCTSSCTSKTSHR
SCHEMBL5534173 0.78 CTSK (0.38) CTSLCTSBCTSKSIGMAR1ACHE
SCHEMBL6873766 0.77 CTSL (0.40) CTSLCTSBCTSSCTSKSIGMAR1
SCHEMBL5533906 0.77 CTSK (0.40) CTSLCTSBCTSSCTSKSIGMAR1
SCHEMBL7557226 0.76 CTSS (0.46) CTSLCTSBCTSSCTSKALDH1A1
SCHEMBL854095 0.75 CTSL (0.53) CTSLCTSBCTSSCTSKSIGMAR1
SCHEMBL6185598 0.75 CTSS (0.50) CTSLCTSBCTSSCTSKALDH1A1
SCHEMBL7509783 0.75 CTSS (0.50) CTSLCTSBCTSSCTSKALDH1A1

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 CTSL 14/4885CTSB 11/4885CTSS 10/4885
US-20040147745-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 CTSL 14/4885CTSB 11/4885CTSS 10/4885
US-20070015755-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS CTRL, SERPINB1, CPN1 CTSL 14/4885CTSB 11/4885CTSS 10/4885

“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.