SCHEMBL6590482

SCHEMBL6590482

CC(C)(CC(N)=O)C(C(=O)NC1C(=O)COC1CN1CCCC1)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.36
CTSL P07711 9/20 0.35
CTSS P25774 9/20 0.35
CTSK P43235 9/20 0.35
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KCNQ2 O43526 1/20 0.32
KMT2A Q03164 1/20 0.32
TSHR P16473 1/20 0.32
CNR2 P34972 1/20 0.32
SMYD3 Q9H7B4 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
SCHEMBL6589406 0.88 CTSL (0.45) CTSLCTSSCTSK
SCHEMBL6593627 0.87 CTSL (0.38) CTSLCTSSCTSK
SCHEMBL6590974 0.86 CTSL (0.38) CCR1CTSLCTSSCTSKNPC1
SCHEMBL6475695 0.84 OPRK1 (0.37) CTSLCTSSCTSKRAB9A
SCHEMBL6586155 0.83 CTSL (0.36) CTSLCTSSCTSK
SCHEMBL6475285 0.80 CTSL (0.37) CTSLCTSSCTSK
SCHEMBL6590154 0.80 CYP2C19 (0.34) CCR1CTSLCTSSCTSKCNR2
SCHEMBL6589311 0.78 CTSL (0.31) CTSLCTSSCTSK
SCHEMBL6476304 0.78 CTSL (0.34) CTSLCTSSCTSK
SCHEMBL6488422 0.77 CTSL (0.34) CTSLCTSSCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 (1 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-20030203900-A1 Cysteine protease inhibitors CTSS, CTSE, CTSV CCR1 581/4885CTSL 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.