SCHEMBL6482606

SCHEMBL6482606

CC(CC(=O)NC1C(=O)COC1CCN(C)C)C(C)(C)CCNC(=O)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.35
NPC1 O15118 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CTSL P07711 4/20 0.34
CTSS P25774 4/20 0.34
CTSK P43235 4/20 0.34
HPGD P15428 1/20 0.33
ALDH1A1 P00352 3/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.32
TMEM97 Q5BJF2 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
ESRRG P62508 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
SCHEMBL6475393 0.89 CTSL (0.42) RAB9ANPC1CTSLCTSSCTSK
SCHEMBL6476449 0.86 RAB9A (0.36) RAB9ANPC1CTSLCTSSCTSK
SCHEMBL6475732 0.86 RAB9A (0.35) RAB9ANPC1CYP1A2CYP2D6CTSL
SCHEMBL6476464 0.85 EPHX2 (0.36) RAB9ANPC1CYP1A2CYP2D6CTSL
SCHEMBL6475024 0.85 NPC1 (0.34) RAB9ANPC1CYP1A2CYP2D6CTSL
SCHEMBL6483200 0.85 CTSL (0.37) RAB9ANPC1CYP1A2CYP2D6CTSL
SCHEMBL6486966 0.84 HPGD (0.39) RAB9ANPC1CYP1A2CYP2D6CTSL
SCHEMBL6476233 0.84 RAB9A (0.34) RAB9ANPC1CTSLCTSSCTSK
SCHEMBL6476626 0.84 ESRRG (0.34) RAB9ANPC1CTSLCTSSCTSK
SCHEMBL6483300 0.80 CTSL (0.40) CYP1A2CYP2D6CTSLCTSSCTSK

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 8 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
US-20050020588-A1 Cysteine protease inhibitors PEPTIMMUNE, INC. 2005-01-27 US 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 1874/4885CYP1A2 3299/4885
US-20030203900-A1 Cysteine protease inhibitors CTSS, CTSE, CTSV RAB9A 2562/4885NPC1 1874/4885CYP1A2 3299/4885

“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.