SCHEMBL4622059

SCHEMBL4622059

Cc1c(C(=O)N[C@@H](CC(C)C)C(=O)N[C@H]2CC[C@@H](C)N(S(=O)(=O)c3ccccn3)CC2=O)oc2cccnc12

nearest known ligand 0.73

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSK P43235 20/20 0.73
CTSL P07711 18/20 0.73
CTSS P25774 17/20 0.73
CTSV O60911 2/20 0.73
CTSB P07858 2/20 0.73

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
SCHEMBL23856123 1.00 CTSK (0.73) CTSKCTSLCTSSCTSVCTSB
SCHEMBL30218823 1.00 CTSK (0.73) CTSKCTSLCTSSCTSVCTSB
SCHEMBL13784217 0.92 CTSK (0.74) CTSKCTSLCTSSCTSVCTSB
SCHEMBL6837057 0.92 CTSK (0.74) CTSKCTSLCTSSCTSVCTSB
SCHEMBL6263458 0.90 CTSK (0.72) CTSKCTSLCTSSCTSVCTSB
SCHEMBL13784218 0.88 CTSK (0.58) CTSKCTSLCTSSCTSVCTSB
SCHEMBL13784215 0.87 CTSL (0.56) CTSKCTSLCTSSCTSVCTSB
SCHEMBL4623775 0.87 CTSL (0.55) CTSKCTSLCTSSCTSVCTSB
SCHEMBL4623767 0.87 CTSL (0.55) CTSKCTSLCTSSCTSVCTSB
SCHEMBL6842090 0.85 CTSK (0.86) 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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080262224-A1 Method of Preparation of Benzofuran-2-Carboxylic Acid -Amide SMITHKLINE BEECHAM CORPORATION 2008-10-23 US claimed
EP-1713790-A2 METHOD OF PREPARATION OF BENZOFURAN-2-CARBOXYLIC ACID (S)-3-METHYL-1- ((4S, 7R)-7METHYL-3-OXO-1-(PYRIDINE-2-SULFONYL)-AZ EPAN-4-YLCARBAMOYL-BUTYL)-AMIDE SMITHKLINE BEECHAM CORPORATION (US) 2006-10-25 EP claimed
EP-1307203-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2005-08-17 EP claimed
WO-2005069981-A2 METHOD OF PREPARATION OF BENZOFURAN-2-CARBOXYLIC ACID {(S)-3-METHYL-1-[(4S, 7R)-7METHYL-3-OXO-1-(PYRIDINE-2-SULFONYL)-AZEPAN-4-YLCARBAMOYL]-BUTYL}-AMIDE SMITHKLINE BEECHAM CORPORATION (US) 2005-08-04 WO 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
US-20240066037-A1 CATHEPSIN INHIBITORS FOR PREVENTING OR TREATING VIRAL INFECTIONS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2024-02-29 US disclosed
EP-4125919-A1 CATHEPSIN INHIBITORS FOR PREVENTING OR TREATING VIRAL INFECTIONS GlaxoSmithKline Intellectual Property Development Limited (GB) 2023-02-08 EP disclosed
WO-2021191875-A1 CATHEPSIN INHIBITORS FOR PREVENTING OR TREATING VIRAL INFECTIONS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-09-30 WO disclosed
US-7563784-B2 Protease inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2009-07-21 US disclosed
US-7563784-B2 Protease inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2009-07-21 US disclosed
US-20080262224-A1 Method of Preparation of Benzofuran-2-Carboxylic Acid -Amide SMITHKLINE BEECHAM CORPORATION 2008-10-23 US disclosed
US-20080262224-A1 Method of Preparation of Benzofuran-2-Carboxylic Acid -Amide SMITHKLINE BEECHAM CORPORATION 2008-10-23 US disclosed
US-20080262224-A1 Method of Preparation of Benzofuran-2-Carboxylic Acid -Amide SMITHKLINE BEECHAM CORPORATION 2008-10-23 US disclosed
EP-1713790-A2 METHOD OF PREPARATION OF BENZOFURAN-2-CARBOXYLIC ACID (S)-3-METHYL-1- ((4S, 7R)-7METHYL-3-OXO-1-(PYRIDINE-2-SULFONYL)-AZ EPAN-4-YLCARBAMOYL-BUTYL)-AMIDE SMITHKLINE BEECHAM CORPORATION (US) 2006-10-25 EP disclosed
US-20060083784-A1 Amorphous pharmaceutical compositions SMITHKLINE BEECHAM CORPORATION 2006-04-20 US disclosed
US-20060013869-A1 Electrospun amorphous pharmaceutical compositions IGNATIOUS FRANCIS 2006-01-19 US disclosed
WO-2005069981-A2 METHOD OF PREPARATION OF BENZOFURAN-2-CARBOXYLIC ACID {(S)-3-METHYL-1-[(4S, 7R)-7METHYL-3-OXO-1-(PYRIDINE-2-SULFONYL)-AZEPAN-4-YLCARBAMOYL]-BUTYL}-AMIDE SMITHKLINE BEECHAM CORPORATION (US) 2005-08-04 WO disclosed
US-20040044201-A1 Protease inhibitors GLAXOSMITHKLINE LLC 2004-03-04 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 (3 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-20080262224-A1 Method of Preparation of Benzofuran-2-Carboxylic Acid -Amide ACMSD, CPS1, BCAT2 CTSK 2482/4885CTSL 2386/4885CTSS 1620/4885
US-20240066037-A1 CATHEPSIN INHIBITORS FOR PREVENTING OR TREATING VIRAL INFECTIONS CTSV, CTSS, CTSA CTSK 11/4885CTSL 10/4885CTSS 2/4885
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.