SCHEMBL2108340

SCHEMBL2108340

CC(C)(C)OC(=O)NC(Cc1ccc(F)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSS P25774 7/20 0.68
CTSK P43235 6/20 0.68
CTSL P07711 1/20 0.52
CTSB P07858 1/20 0.52
NOS3 P29474 2/20 0.50
NOS1 P29475 2/20 0.50
NOS2 P35228 2/20 0.50
NPR3 P17342 1/20 0.50
ACE P12821 1/20 0.50
ITGB3 P05106 1/20 0.50
ITGA2B P08514 1/20 0.50
KLK5 Q9Y337 1/20 0.49
SCN9A Q15858 2/20 0.48
EPHX2 P34913 1/20 0.48
ITGA4 P13612 1/20 0.47
ITGB7 P26010 1/20 0.47

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
SCHEMBL2108343 1.00 CTSS (0.68) CTSSCTSKCTSLCTSBNOS3
SCHEMBL479104 0.93 CTSS (0.67) CTSSCTSKCTSLCTSBNOS3
SCHEMBL25382593 0.93 CTSS (0.67) CTSSCTSKCTSLCTSBNOS3
SCHEMBL479103 0.93 CTSS (0.67) CTSSCTSKCTSLCTSBNOS3
SCHEMBL16459725 0.90 CTSS (0.63) CTSSCTSKCTSLCTSBNOS3
SCHEMBL16459724 0.90 CTSS (0.63) CTSSCTSKCTSLCTSBNOS3
SCHEMBL479232 0.89 CTSS (0.72) CTSSCTSKCTSLCTSBACE
SCHEMBL17910719 0.89 CTSS (0.55) CTSSCTSKCTSLCTSBACE
SCHEMBL17910716 0.89 CTSS (0.55) CTSSCTSKCTSLCTSBACE
SCHEMBL479234 0.89 CTSS (0.72) CTSSCTSKCTSLCTSBACE

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
US-8158622-B2 Pyrrolopyridine-2-carboxylic acid amide inhibitors of glycogen phosphorylase PROSIDION LIMITED (GB) 2012-04-17 US disclosed
EP-1636224-B1 PYRROLOPYRIDINE-2-CARBOXYLIC ACID AMIDE INHIBITORS OF GLYCOGEN PHOSHORYLASE PROSIDION LTD (GB) 2010-07-14 EP disclosed
US-20090023703-A1 Pyrrolopyridine-2-carboxylic acid amide inhibitors of glycogen phosphorylase PROSIDION LIMITED (GB) 2009-01-22 US disclosed
US-7405210-B2 Pyrrolopyridine-2-carboxylic acid amide inhibitors of glycogen phosphorylase OSI PHARMACEUTICALS, INC. (US) 2008-07-29 US disclosed
US-20070244090-A9 PYRROLOPYRIDINE-2-CARBOXYLIC ACID AMIDE INHIBITORS OF GLYCOGEN PHOSPHORYLASE BRADLEY STUART E 2007-10-18 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
WO-2004104001-A2 PYRROLOPYRIDINE-2-CARBOXYLIC ACID AMIDE INHIBITORS OF GLYCOGEN PHOSHORYLASE PROSIDION LIMITED (GB) 2004-12-02 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 (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-20070244090-A9 PYRROLOPYRIDINE-2-CARBOXYLIC ACID AMIDE INHIBITORS OF GLYCOGEN PHOSPHORYLASE PYGL, PYGM, PYGB CTSS 2832/4885CTSK 2977/4885CTSL 2229/4885
US-20090023703-A1 Pyrrolopyridine-2-carboxylic acid amide inhibitors of glycogen phosphorylase PYGL, PYGM, PYGB CTSS 2832/4885CTSK 2977/4885CTSL 2229/4885
US-20050261272-A1 Pyrrolopyridine-2-carboxylic acid amide inhibitors of glycogen phosphorylase PYGL, PYGM, PYGB CTSS 2832/4885CTSK 2977/4885CTSL 2229/4885

“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.