SCHEMBL6582865

SCHEMBL6582865

CC(C)CCCN1CCC(NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)C(O)C1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.47
HRH2 P25021 6/20 0.45
HRH1 P35367 6/20 0.45
CTSL P07711 2/20 0.43
CTSB P07858 1/20 0.43
CTSS P25774 1/20 0.43
CAPN1 P07384 1/20 0.41
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
PSMB5 P28074 1/20 0.40
GAA P10253 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPK1 P28482 1/20 0.38
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
AAK1 Q2M2I8 1/20 0.37

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
SCHEMBL6578071 0.86 CTSK (0.45) CTSKCAPN1GAAMEN1KMT2A
SCHEMBL6580522 0.81 CTSK (0.74) CTSKCTSLCTSBCTSS
SCHEMBL7006957 0.79 CTSK (0.52) CTSKCTSLCTSBCTSSCAPN1
SCHEMBL4690697 0.79 CTSK (0.48) CTSKCTSLCTSBCTSSCAPN1
SCHEMBL4690689 0.79 CTSK (0.48) CTSKCTSLCTSBCTSSCAPN1
SCHEMBL6579829 0.78 GBA1 (0.39) CTSKHRH2HRH1
SCHEMBL6580087 0.78 CTSK (0.57) CTSKCTSLCTSBCTSSMAPK1
Hydrochloric Acid SCHEMBL6581857 0.77 GBA1 (0.38) CTSKHRH2HRH1
SCHEMBL6580194 0.76 CTSK (0.67) CTSKCTSLCTSBCTSS
SCHEMBL6456049 0.76 CTSK (0.53) CTSKMAPK1ALDH1A1LMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040180927-A1 Inhibitors of cysteine protease SMITHKLINE BEECHAM CORPORATION 2004-09-16 US disclosed
EP-0936912-B1 INHIBITORS OF CYSTEINE PROTEASE SMITHKLINE BEECHAM CORP (US) 2004-02-11 EP disclosed
US-20020128476-A1 Inhibitors of cysteine protease SMITHKLINE BEECHAM CORPORATION 2002-09-12 US 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-20040180927-A1 Inhibitors of cysteine protease CTSK, CTSZ, CTSS CTSK 1/4885HRH2 2099/4885HRH1 1931/4885
US-20020128476-A1 Inhibitors of cysteine protease CTRC, RCE1, CTRL CTSK 100/4885HRH2 101/4885HRH1 215/4885

“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.