SCHEMBL6214152

SCHEMBL6214152

CC(C)C[C@H](NC(=O)O)C(=O)N([C@H]1CC[C@@H](C)NC[C@@H]1O)S(=O)(=O)c1ccccn1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSK P43235 13/20 0.37
CTSL P07711 12/20 0.37
CTSS P25774 8/20 0.37
LMNA P02545 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
KMT2A Q03164 1/20 0.35
MAPK1 P28482 1/20 0.34
CTSB P07858 3/20 0.34
CTSV O60911 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PTGDR2 Q9Y5Y4 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
SCHEMBL4318514 0.89 MAPK1 (0.36) CTSKCTSLCTSSLMNARAB9A
SCHEMBL6213890 0.88 CTSB (0.34) CTSKCTSLCTSSSMN1; SMN2KMT2A
SCHEMBL4768354 0.88 CTSB (0.34) CTSKCTSLCTSSSMN1; SMN2KMT2A
SCHEMBL7426317 0.86 CTSK (0.37) CTSKCTSLCTSSLMNARAB9A
SCHEMBL6212013 0.86 CTSK (0.40) CTSKCTSLCTSSRAB9ASMN1; SMN2
SCHEMBL6214202 0.84 CTSK (0.47) CTSKCTSLCTSSCTSBCTSV
SCHEMBL6215050 0.84 CTSK (0.36) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4315427 0.77 MAPK1 (0.40) CTSKCTSLCTSSLMNAMAPK1
SCHEMBL6213555 0.77 CTSL (0.38) CTSKCTSLCTSS
SCHEMBL5971691 0.76 MAPK1 (0.36) CTSKCTSLCTSSLMNASMN1; SMN2

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
EP-1307203-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2005-08-17 EP claimed
EP-1307203-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-05-07 EP claimed
WO-2001070232-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-09-27 WO claimed
EP-1307203-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2005-08-17 EP disclosed
US-20040044201-A1 Protease inhibitors GLAXOSMITHKLINE LLC 2004-03-04 US disclosed
WO-2003045909-A2 METHODS AND INTERMEDIATES FOR THE SYNTHESIS OF AZEPINES SMITHKLINE BEECHAM CORPORATION (US) 2003-06-05 WO disclosed
EP-1307203-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-05-07 EP disclosed
WO-2001070232-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-09-27 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 (1 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-20040044201-A1 Protease inhibitors CTSK, CTSE, CTSZ CTSK 1/4885CTSL 11/4885CTSS 5/4885

“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.