SCHEMBL6486966

SCHEMBL6486966

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.39
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CTSL P07711 4/20 0.35
CTSS P25774 4/20 0.35
CTSK P43235 4/20 0.35
HDAC1 Q13547 2/20 0.35
HDAC2 Q92769 2/20 0.35
HDAC8 Q9BY41 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
NAAA Q02083 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
NAMPT P43490 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL6483202 0.89 CTSL (0.43) CTSLCTSSCTSKNAAA
SCHEMBL6476464 0.89 EPHX2 (0.36) HPGDMEN1KMT2ACTSLCTSS
SCHEMBL6485087 0.86 NAAA (0.36) CTSLCTSSCTSKHDAC1HDAC2
SCHEMBL6482606 0.84 RAB9A (0.35) HPGDCTSLCTSSCTSKSMN1; SMN2
SCHEMBL6475738 0.83 KDM4E (0.38) CTSLCTSSCTSKNAAASMN1; SMN2
SCHEMBL6475732 0.80 RAB9A (0.35) MEN1KMT2ACTSLCTSSCTSK
SCHEMBL6475024 0.80 NPC1 (0.34) MEN1KMT2ACTSLCTSSCTSK
SCHEMBL6587970 0.79 CTSL (0.31) CTSLCTSSCTSK
SCHEMBL6476626 0.78 ESRRG (0.34) MEN1KMT2ACTSLCTSSCTSK
SCHEMBL6594120 0.77 CTSL (0.30) 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 9 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-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 HPGD 458/4885MEN1 4595/4885KMT2A 4276/4885
US-20030203900-A1 Cysteine protease inhibitors CTSS, CTSE, CTSV HPGD 458/4885MEN1 4595/4885KMT2A 4276/4885

“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.