SCHEMBL6483463

SCHEMBL6483463

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
DHODH Q02127 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ESRRG P62508 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
CTSL P07711 4/20 0.34
CTSS P25774 4/20 0.34
CTSK P43235 4/20 0.34
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
DPP4 P27487 1/20 0.33
HDAC3 O15379 2/20 0.33
HDAC4 P56524 2/20 0.33
HDAC1 Q13547 2/20 0.33
HDAC7 Q8WUI4 2/20 0.33
HDAC2 Q92769 2/20 0.33
HDAC10 Q969S8 2/20 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
SCHEMBL6489960 0.92 RAB9A (0.36) RAB9ANPC1DHODHL3MBTL1ESRRG
SCHEMBL6476946 0.91 CTSL (0.42) RAB9ANPC1DHODHL3MBTL1ESRRG
SCHEMBL6475833 0.85 ESRRG (0.35) RAB9ANPC1ESRRGSMN1; SMN2CTSL
SCHEMBL6475024 0.85 NPC1 (0.34) RAB9ANPC1DHODHL3MBTL1ESRRG
SCHEMBL6486830 0.85 CCR2 (0.39) DHODHL3MBTL1SMN1; SMN2
SCHEMBL6476449 0.85 RAB9A (0.36) RAB9ANPC1ESRRGSMN1; SMN2CTSL
SCHEMBL6482920 0.83 CTSL (0.41) RAB9ANPC1CTSLCTSSCTSK
SCHEMBL6484120 0.82 CTSL (0.42) RAB9ANPC1ESRRGSMN1; SMN2CTSL
SCHEMBL6485661 0.81 CTSL (0.38) RAB9ANPC1CTSLCTSSCTSK
SCHEMBL6485378 0.80 EPHX2 (0.38) RAB9ANPC1SMN1; SMN2CTSLCTSS

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 RAB9A 2562/4885NPC1 1874/4885DHODH 3048/4885
US-20030203900-A1 Cysteine protease inhibitors CTSS, CTSE, CTSV RAB9A 2562/4885NPC1 1874/4885DHODH 3048/4885

“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.