SCHEMBL6483017

SCHEMBL6483017

CC(CCNC(=O)c1ccccc1)(CC(=O)NC1C(=O)COC1CN1CCCC1)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.35
CCR2 P41597 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ESRRG P62508 1/20 0.34
KDM4E B2RXH2 2/20 0.33
PKM P14618 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CTSL P07711 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33

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
SCHEMBL6486296 0.91 ACHE (0.36) ACHECCR2KDM4ENPSR1ALDH1A1
SCHEMBL6475733 0.89 CTSL (0.41) ESRRGCTSLCTSSCTSK
SCHEMBL6486830 0.86 CCR2 (0.39) ACHECCR2NPSR1SMN1; SMN2
SCHEMBL6475833 0.85 ESRRG (0.35) MEN1KMT2AESRRGKDM4EPKM
SCHEMBL6590154 0.84 CYP2C19 (0.34) NPSR1CTSLCTSSCTSK
SCHEMBL6476233 0.84 RAB9A (0.34) ACHECCR2ALDH1A1SMN1; SMN2CTSL
SCHEMBL6476626 0.84 ESRRG (0.34) MEN1KMT2AESRRGKDM4EPKM
SCHEMBL6475695 0.81 OPRK1 (0.37) ACHECTSLCTSSCTSK
SCHEMBL6476921 0.79 CTSL (0.39) ALDH1A1SMN1; SMN2CTSLCTSSCTSK
SCHEMBL6476739 0.79 CCR2 (0.37) ACHECCR2KDM4ENPSR1ALDH1A1

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 ACHE 1195/4885CCR2 144/4885MEN1 4595/4885
US-20030203900-A1 Cysteine protease inhibitors CTSS, CTSE, CTSV ACHE 1195/4885CCR2 144/4885MEN1 4595/4885

“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.