SCHEMBL6476946

SCHEMBL6476946

CCC1OCC(=O)C1NC(=O)CCC(C)(C)CCNC(=O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSL P07711 11/20 0.42
CTSS P25774 11/20 0.42
CTSK P43235 11/20 0.42
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
DHODH Q02127 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NAAA Q02083 1/20 0.37
ESRRG P62508 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL6484120 0.91 CTSL (0.42) CTSLCTSSCTSKNPC1RAB9A
SCHEMBL6483463 0.91 RAB9A (0.35) CTSLCTSSCTSKNPC1RAB9A
SCHEMBL6475024 0.89 NPC1 (0.34) CTSLCTSSCTSKNPC1RAB9A
SCHEMBL6486830 0.88 CCR2 (0.39) DHODHL3MBTL1SMN1; SMN2
SCHEMBL6475733 0.84 CTSL (0.41) CTSLCTSSCTSKNPC1RAB9A
SCHEMBL6475393 0.83 CTSL (0.42) CTSLCTSSCTSKNPC1RAB9A
SCHEMBL6487533 0.82 CTSL (0.49) CTSLCTSSCTSK
SCHEMBL6489960 0.82 RAB9A (0.36) CTSLCTSSCTSKNPC1RAB9A
SCHEMBL6475732 0.80 RAB9A (0.35) CTSLCTSSCTSKNPC1RAB9A
SCHEMBL6476893 0.80 CTSL (0.46) 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 10 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
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 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.