SCHEMBL6475833

SCHEMBL6475833

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESRRG P62508 1/20 0.35
RAB9A P51151 5/20 0.34
NPC1 O15118 4/20 0.34
CTSL P07711 4/20 0.33
CTSS P25774 4/20 0.33
CTSK P43235 4/20 0.33
SMN1; SMN2 Q16637 3/20 0.32
ALDH1A1 P00352 2/20 0.32
GAA P10253 1/20 0.32
POLB P06746 2/20 0.32
LMNA P02545 1/20 0.32
CASP3 P42574 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
NAAA Q02083 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
PKM P14618 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
HSP90AA1 P07900 1/20 0.31

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
SCHEMBL6475733 0.91 CTSL (0.41) ESRRGRAB9ANPC1CTSLCTSS
SCHEMBL6489960 0.90 RAB9A (0.36) ESRRGRAB9ANPC1CTSLCTSS
SCHEMBL6590657 0.87 CYP2C19 (0.39) CTSLCTSSCTSKMEN1CYP1A2
SCHEMBL6476626 0.86 ESRRG (0.34) ESRRGRAB9ANPC1CTSLCTSS
SCHEMBL6483463 0.85 RAB9A (0.35) ESRRGRAB9ANPC1CTSLCTSS
SCHEMBL6483017 0.85 ACHE (0.35) ESRRGCTSLCTSSCTSKSMN1; SMN2
SCHEMBL6476449 0.83 RAB9A (0.36) ESRRGRAB9ANPC1CTSLCTSS
SCHEMBL6590847 0.81 CTSL (0.40) CTSLCTSSCTSKMEN1CYP2C19
SCHEMBL6484120 0.80 CTSL (0.42) ESRRGRAB9ANPC1CTSLCTSS
SCHEMBL6485661 0.80 CTSL (0.38) RAB9ANPC1CTSLCTSSCTSK

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-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 ESRRG 2845/4885RAB9A 2562/4885NPC1 1874/4885
US-20030203900-A1 Cysteine protease inhibitors CTSS, CTSE, CTSV ESRRG 2845/4885RAB9A 2562/4885NPC1 1874/4885

“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.