SCHEMBL6485087

SCHEMBL6485087

CC(CCCNC(=O)c1ccccc1)CC(=O)NC1C(=O)COC1CC(N)=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.36
CTSL P07711 3/20 0.36
CTSS P25774 3/20 0.36
CTSK P43235 3/20 0.36
PAX8 Q06710 1/20 0.35
ITGB3 P05106 2/20 0.35
ITGA2B P08514 2/20 0.35
HDAC3 O15379 4/20 0.34
HDAC1 Q13547 4/20 0.34
HDAC2 Q92769 4/20 0.34
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
HDAC4 P56524 3/20 0.34
HDAC7 Q8WUI4 3/20 0.34
HDAC10 Q969S8 3/20 0.34
HDAC11 Q96DB2 3/20 0.34
HDAC8 Q9BY41 3/20 0.34
HDAC6 Q9UBN7 3/20 0.34
HDAC9 Q9UKV0 3/20 0.34
HDAC5 Q9UQL6 3/20 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
SCHEMBL6483202 0.91 CTSL (0.43) NAAACTSLCTSSCTSK
SCHEMBL6485378 0.89 EPHX2 (0.38) CTSLCTSSCTSKITGB3ITGA2B
SCHEMBL6486966 0.86 HPGD (0.39) NAAACTSLCTSSCTSKHDAC3
SCHEMBL6475738 0.85 KDM4E (0.38) NAAACTSLCTSSCTSKRAB9A
SCHEMBL6476449 0.84 RAB9A (0.36) CTSLCTSSCTSKNPC1RAB9A
SCHEMBL6486478 0.80 CTSL (0.41) NAAACTSLCTSSCTSKNPC1
SCHEMBL6489960 0.80 RAB9A (0.36) NAAACTSLCTSSCTSKNPC1
SCHEMBL6588916 0.79 CTSL (0.31) CTSLCTSSCTSK
SCHEMBL6483463 0.79 RAB9A (0.35) CTSLCTSSCTSKHDAC3HDAC1
SCHEMBL6475833 0.78 ESRRG (0.35) NAAACTSLCTSSCTSKNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050020588-A1 Cysteine protease inhibitors PEPTIMMUNE, INC. 2005-01-27 US claimed
EP-1413580-A1 Furanone derivatives as inhibitors of Cathepsin S Medivir UK Ltd (GB) 2004-04-28 EP claimed
EP-1178986-B1 FURANONE DERIVATIVES AS INHIBITORS OF CATHEPSIN S MEDIVIR UK LTD (GB) 2004-02-25 EP claimed
US-20030203900-A1 Cysteine protease inhibitors MEDIVIR UK LTD (GB) 2003-10-30 US claimed
JP-2002544274-A 2002-12-24 JP claimed
EP-1178986-A2 FURANONE DERIVATIVES AS INHIBITORS OF CATHEPSIN S Medivir UK Ltd (GB) 2002-02-13 EP claimed
WO-2000069855-A2 FURANONE DERIVATIVES AS INHIBITORS OF CATHEPSIN S MEDIVIR UK LIMITED (GB) 2000-11-23 WO claimed
US-20050020588-A1 Cysteine protease inhibitors PEPTIMMUNE, INC. 2005-01-27 US disclosed
EP-1413580-A1 Furanone derivatives as inhibitors of Cathepsin S Medivir UK Ltd (GB) 2004-04-28 EP disclosed
EP-1178986-B1 FURANONE DERIVATIVES AS INHIBITORS OF CATHEPSIN S MEDIVIR UK LTD (GB) 2004-02-25 EP disclosed
US-20030203900-A1 Cysteine protease inhibitors MEDIVIR UK LTD (GB) 2003-10-30 US disclosed
EP-1178986-A2 FURANONE DERIVATIVES AS INHIBITORS OF CATHEPSIN S Medivir UK Ltd (GB) 2002-02-13 EP disclosed
WO-2000069855-A2 FURANONE DERIVATIVES AS INHIBITORS OF CATHEPSIN S MEDIVIR UK LIMITED (GB) 2000-11-23 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-20050020588-A1 Cysteine protease inhibitors CTSS, CTSE, CTSV NAAA 2748/4885CTSL 11/4885CTSS 1/4885
US-20030203900-A1 Cysteine protease inhibitors CTSS, CTSE, CTSV NAAA 2748/4885CTSL 11/4885CTSS 1/4885

“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.