SCHEMBL6483300

SCHEMBL6483300

CN(C)CCC1OCC(=O)C1NC(=O)C(CC(C)(C)CCNC(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSL P07711 10/20 0.40
CTSS P25774 10/20 0.40
CTSK P43235 10/20 0.40
XIAP P98170 2/20 0.34
EPHX2 P34913 1/20 0.33
HPGD P15428 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP3A4 P08684 1/20 0.32
TSHR P16473 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
SCHEMBL6487533 0.90 CTSL (0.49) CTSLCTSSCTSK
SCHEMBL6482920 0.87 CTSL (0.41) CTSLCTSSCTSKXIAPEPHX2
SCHEMBL6483200 0.87 CTSL (0.37) CTSLCTSSCTSKXIAPEPHX2
SCHEMBL6591207 0.85 CTSL (0.40) CTSLCTSSCTSK
SCHEMBL6475732 0.85 RAB9A (0.35) CTSLCTSSCTSKCYP1A2CYP2D6
SCHEMBL6476921 0.85 CTSL (0.39) CTSLCTSSCTSKXIAP
SCHEMBL6590366 0.84 CTSL (0.39) CTSLCTSSCTSK
SCHEMBL6475024 0.84 NPC1 (0.34) CTSLCTSSCTSKCYP1A2CYP2D6
SCHEMBL6482606 0.80 RAB9A (0.35) CTSLCTSSCTSKHPGDCYP1A2
SCHEMBL6476626 0.79 ESRRG (0.34) CTSLCTSSCTSKTSHR

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 12 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-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 CTSL 11/4885CTSS 1/4885CTSK 4/4885
US-20030203900-A1 Cysteine protease inhibitors CTSS, CTSE, CTSV CTSL 11/4885CTSS 1/4885CTSK 4/4885

“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.