SCHEMBL5528348

SCHEMBL5528348

N#CCNC(=O)C(CNC(=O)C1CCCCC1)C1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSK P43235 9/20 0.44
CTSS P25774 7/20 0.44
CTSL P07711 6/20 0.44
CTSV O60911 2/20 0.44
CTSB P07858 5/20 0.43
EPHX1 P07099 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NAAA Q02083 1/20 0.39
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35
PSMB5 P28074 1/20 0.35

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
SCHEMBL5529196 1.00 CTSK (0.44) CTSKCTSSCTSLCTSVCTSB
SCHEMBL5526866 0.86 CTSL (0.45) CTSKCTSSCTSLCTSVCTSB
SCHEMBL5523008 0.84 CTSL (0.44) CTSKCTSSCTSLCTSVCTSB
SCHEMBL5527113 0.81 ALDH1A1 (0.44) CTSKCTSSCTSLCTSVCTSB
SCHEMBL5530243 0.81 CTSL (0.42) CTSKCTSSCTSLCTSVCTSB
SCHEMBL5523062 0.80 CTSS (0.49) CTSKCTSSCTSLCTSB
SCHEMBL2155645 0.80 CTSK (0.56) CTSKCTSSCTSLCTSVCTSB
SCHEMBL5527445 0.79 CTSL (0.41) CTSKCTSSCTSLCTSVCTSB
SCHEMBL5528189 0.79 CTSL (0.41) CTSKCTSSCTSLCTSBEPHX1
SCHEMBL5533910 0.79 CTSS (0.59) CTSKCTSSCTSLCTSBEPHX1

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-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
EP-1178958-A2 N-CYANOMETHYL AMIDES AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-02-13 EP disclosed
WO-2000055125-A2 N-CYANOMETHYL AMIDES AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2000-09-21 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-20030096796-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 CTSK 32/4885CTSS 10/4885CTSL 14/4885
US-20070015755-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS CTRL, SERPINB1, CPN1 CTSK 32/4885CTSS 10/4885CTSL 14/4885

“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.