SCHEMBL1764798

SCHEMBL1764798

CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSS P25774 8/20 0.64
CTSK P43235 7/20 0.64
CTSB P07858 2/20 0.64
CTSL P07711 1/20 0.64
MMP9 P14780 1/20 0.61
MMP8 P22894 1/20 0.61
MMP14 P50281 1/20 0.61
ACE P12821 1/20 0.61
ATM Q13315 1/20 0.56
AKT1 P31749 1/20 0.56
KLK5 Q9Y337 1/20 0.54
PPARA Q07869 2/20 0.53
PPARG P37231 1/20 0.53
APP P05067 1/20 0.52

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
SCHEMBL6162474 1.00 CTSS (0.64) CTSSCTSKCTSBCTSLMMP9
SCHEMBL3701014 0.94 CTSS (0.66) CTSSCTSKCTSBCTSLMMP9
SCHEMBL3701013 0.94 CTSS (0.66) CTSSCTSKCTSBCTSLMMP9
SCHEMBL4654379 0.90 CTSS (0.61) CTSSCTSKCTSBCTSLACE
SCHEMBL4654386 0.90 CTSS (0.61) CTSSCTSKCTSBCTSLACE
SCHEMBL1204211 0.88 JAK3 (0.61) CTSSCTSKCTSBCTSLACE
SCHEMBL8894210 0.88 CTSS (0.60) CTSSCTSKCTSBCTSLACE
SCHEMBL18057248 0.88 CTSS (0.60) CTSSCTSKCTSBCTSLACE
SCHEMBL19969174 0.88 CTSS (0.60) CTSSCTSKCTSBCTSLACE
SCHEMBL6557659 0.88 JAK3 (0.61) CTSSCTSKCTSBCTSLACE

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2504324-B1 SULTAM DERIVATIVES HOFFMANN LA ROCHE (CH) 2015-02-25 EP disclosed
EP-2504324-B1 SULTAM DERIVATIVES HOFFMANN LA ROCHE (CH) 2015-02-25 EP disclosed
US-8314250-B2 Sultam derivatives HOFFMANN-LA ROCHE INC. (US) 2012-11-20 US disclosed
US-8314250-B2 Sultam derivatives HOFFMANN-LA ROCHE INC. (US) 2012-11-20 US disclosed
EP-2504324-A1 SULTAM DERIVATIVES F. Hoffmann-La Roche AG (CH) 2012-10-03 EP disclosed
US-8158622-B2 Pyrrolopyridine-2-carboxylic acid amide inhibitors of glycogen phosphorylase PROSIDION LIMITED (GB) 2012-04-17 US disclosed
US-8158622-B2 Pyrrolopyridine-2-carboxylic acid amide inhibitors of glycogen phosphorylase PROSIDION LIMITED (GB) 2012-04-17 US disclosed
WO-2011064141-A1 SULTAM DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-06-03 WO disclosed
US-20110124686-A1 SULTAM DERIVATIVES ANDERSON KEVIN W 2011-05-26 US disclosed
US-20110124686-A1 SULTAM DERIVATIVES ANDERSON KEVIN W 2011-05-26 US disclosed
EP-1636224-A2 PYRROLOPYRIDINE-2-CARBOXYLIC ACID AMIDE INHIBITORS OF GLYCOGEN PHOSHORYLASE Prosidion Limited (GB) 2006-03-22 EP disclosed
US-20050261272-A1 Pyrrolopyridine-2-carboxylic acid amide inhibitors of glycogen phosphorylase PROSIDION LIMITED (GB) 2005-11-24 US disclosed
EP-1134213-B1 Process for the preparation of substituted N-(indole-2-carbonyl)- glycinamides PFIZER (US) 2005-11-02 EP disclosed
WO-2004104001-A2 PYRROLOPYRIDINE-2-CARBOXYLIC ACID AMIDE INHIBITORS OF GLYCOGEN PHOSHORYLASE PROSIDION LIMITED (GB) 2004-12-02 WO disclosed
EP-0832065-B1 SUBSTITUTED N-(INDOLE-2-CARBONYL)-GLYCINAMIDES AND DERIVATIVES AS GLYCOGEN PHOSPHORYLASE INHIBITORS PFIZER (US) 2001-10-10 EP disclosed
EP-1134213-A2 Process for the preparation of substituted N-(indole-2-carbonyl)- glycinamides PFIZER INC. (US) 2001-09-19 EP disclosed
US-6277877-B1 GLYCOGEN PHOSPHORYLASE INHIBITOR; ANTIDIABETIC AGENTS PFIZER, INC. 2001-08-21 US disclosed
US-6107329-A HYPOTENSIVE AGENTS; CARDIOVASCULAR DISORDERS PFIZER, INC. (US) 2000-08-22 US disclosed
EP-0832065-A1 SUBSTITUTED N-(INDOLE-2-CARBONYL)-GLYCINAMIDES AND DERIVATIVES AS GLYCOGEN PHOSPHORYLASE INHIBITORS PFIZER INC. (US) 1998-04-01 EP disclosed
WO-1996039384-A1 SUBSTITUTED N-(INDOLE-2-CARBONYL)-GLYCINAMIDES AND DERIVATIVES AS GLYCOGEN PHOSPHORYLASE INHIBITORS PFIZER, INC. (US) 1996-12-12 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-20050261272-A1 Pyrrolopyridine-2-carboxylic acid amide inhibitors of glycogen phosphorylase PYGL, PYGM, PYGB CTSS 2832/4885CTSK 2977/4885CTSB 2518/4885
US-20110124686-A1 SULTAM DERIVATIVES SULT1A1, SULT2A1, SULT1E1 CTSS 2999/4885CTSK 3611/4885CTSB 2824/4885

“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.