SCHEMBL4310587

SCHEMBL4310587

C[C@@H]1CC[C@H](N)C(=O)CN1S(=O)(=O)c1ccccn1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSK P43235 20/20 0.47
CTSL P07711 19/20 0.47
CTSS P25774 18/20 0.47
CTSV O60911 1/20 0.46
CTSB P07858 1/20 0.46

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
SCHEMBL8339896 0.85 CTSK (0.47) CTSKCTSLCTSSCTSVCTSB
SCHEMBL8334693 0.81 CTSK (0.44) CTSKCTSLCTSSCTSVCTSB
SCHEMBL4309590 0.78 SMYD3 (0.41) CTSKCTSLCTSSCTSVCTSB
SCHEMBL4623836 0.78 SMYD3 (0.41) CTSKCTSLCTSSCTSVCTSB
SCHEMBL4316021 0.78 SMYD3 (0.41) CTSKCTSLCTSSCTSVCTSB
SCHEMBL4768241 0.76 CTSK (0.45) CTSKCTSLCTSSCTSVCTSB
SCHEMBL6213680 0.75 CTSK (0.56) CTSKCTSLCTSSCTSVCTSB
SCHEMBL4315123 0.75 CTSK (0.58) CTSKCTSLCTSSCTSVCTSB
SCHEMBL4323805 0.74 CTSK (0.69) CTSKCTSLCTSSCTSVCTSB
SCHEMBL4312951 0.74 CTSK (0.69) CTSKCTSLCTSSCTSVCTSB

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-20060194787-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2006-08-31 US claimed
US-20040044201-A1 Protease inhibitors GLAXOSMITHKLINE LLC 2004-03-04 US claimed
US-7563784-B2 Protease inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2009-07-21 US disclosed
US-20060194787-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2006-08-31 US disclosed
US-7071184-B2 Protease inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2006-07-04 US disclosed
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
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 (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-20060194787-A1 Protease inhibitors CTSK, CTSL, CTSZ CTSK 1/4885CTSL 2/4885CTSS 4/4885
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.