SCHEMBL4623767

SCHEMBL4623767

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

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSL P07711 19/20 0.55
CTSK P43235 19/20 0.55
CTSS P25774 15/20 0.55
CTSB P07858 3/20 0.55
CTSV O60911 2/20 0.55

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
SCHEMBL4623775 1.00 CTSL (0.55) CTSLCTSKCTSSCTSBCTSV
SCHEMBL6842248 0.92 CTSL (0.56) CTSLCTSKCTSSCTSBCTSV
SCHEMBL6842269 0.90 CTSK (0.54) CTSLCTSKCTSSCTSBCTSV
SCHEMBL4622059 0.87 CTSK (0.73) CTSLCTSKCTSSCTSBCTSV
SCHEMBL30218823 0.87 CTSK (0.73) CTSLCTSKCTSSCTSBCTSV
SCHEMBL23856123 0.87 CTSK (0.73) CTSLCTSKCTSSCTSBCTSV
SCHEMBL6842341 0.85 CTSK (0.65) CTSLCTSKCTSSCTSBCTSV
SCHEMBL13784215 0.85 CTSL (0.56) CTSLCTSKCTSSCTSBCTSV
SCHEMBL6842321 0.84 CTSK (0.76) CTSLCTSKCTSSCTSBCTSV
SCHEMBL6836911 0.84 CTSK (0.76) CTSLCTSKCTSSCTSBCTSV

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-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
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
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
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 (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-20080262224-A1 Method of Preparation of Benzofuran-2-Carboxylic Acid -Amide ACMSD, CPS1, BCAT2 CTSL 2386/4885CTSK 2482/4885CTSS 1620/4885
US-20040044201-A1 Protease inhibitors CTSK, CTSE, CTSZ CTSL 11/4885CTSK 1/4885CTSS 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.