Sugi Predict

Sugi Predict / Compounds / SCHEMBL6475732

SCHEMBL6475732

SCHEMBL6475732

CN(C)CCC1OCC(=O)C1NC(=O)CC(C)(C)CCNC(=O)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ CTSL P07711 2/20 0.34
▸ CTSS P25774 2/20 0.34
▸ CTSK P43235 2/20 0.34
▸ ESRRG P62508 1/20 0.34
▸ TMEM97 Q5BJF2 1/20 0.34
▸ SIGMAR1 Q99720 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ MAPT P10636 2/20 0.33
▸ THRB P10828 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ ACHE P22303 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ LMNA P02545 1/20 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
SCHEMBL6475024 0.92 NPC1 (0.34) RAB9ANPC1CTSLCTSSCTSK
SCHEMBL6476626 0.90 ESRRG (0.34) RAB9ANPC1CTSLCTSSCTSK
SCHEMBL6484120 0.89 CTSL (0.42) RAB9ANPC1CTSLCTSSCTSK
SCHEMBL6482606 0.86 RAB9A (0.35) RAB9ANPC1CTSLCTSSCTSK
SCHEMBL6489960 0.85 RAB9A (0.36) RAB9ANPC1CTSLCTSSCTSK
SCHEMBL6483300 0.85 CTSL (0.40) CTSLCTSSCTSKCYP1A2CYP2D6
SCHEMBL6486296 0.83 ACHE (0.36) RAB9ANPC1ACHEALDH1A1GAA
SCHEMBL6483200 0.82 CTSL (0.37) RAB9ANPC1CTSLCTSSCTSK
SCHEMBL6476464 0.81 EPHX2 (0.36) RAB9ANPC1CTSLCTSSCTSK
SCHEMBL6486966 0.80 HPGD (0.39) 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 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 1874/4885CTSL 11/4885
US-20030203900-A1 Cysteine protease inhibitors CTSS, CTSE, CTSV RAB9A 2562/4885NPC1 1874/4885CTSL 11/4885

“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.