SCHEMBL3142017

SCHEMBL3142017

N[C@@H](Cc1ccccc1)C(=O)N1CC(O)C(O)C1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 5/20 0.66
ALPI P09923 1/20 0.54
PKM P14618 1/20 0.54
PTGS1 P23219 1/20 0.54
XIAP P98170 1/20 0.54
SLC7A5 Q01650 1/20 0.54
DPP4 P27487 5/20 0.53
DPP7 Q9UHL4 4/20 0.51
DPP8 Q6V1X1 3/20 0.51
DPP9 Q86TI2 3/20 0.51
FAP Q12884 2/20 0.51
OPRD1 P41143 1/20 0.51
AKT1 P31749 2/20 0.50
ARG1 P05089 1/20 0.50
POLB P06746 1/20 0.50
TACR1 P25103 1/20 0.49

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
SCHEMBL6052777 1.00 HDAC8 (0.66) HDAC8ALPIPKMPTGS1XIAP
SCHEMBL7835478 1.00 HDAC8 (0.66) HDAC8ALPIPKMPTGS1XIAP
Hydrochloric Acid SCHEMBL6162900 0.98 HDAC8 (0.67) HDAC8ALPIPKMPTGS1XIAP
Hydrochloric Acid SCHEMBL6162902 0.98 HDAC8 (0.67) HDAC8ALPIPKMPTGS1XIAP
Hydrochloric Acid SCHEMBL6625415 0.98 HDAC8 (0.67) HDAC8ALPIPKMPTGS1XIAP
Hydrochloric Acid SCHEMBL6626949 0.98 HDAC8 (0.67) HDAC8ALPIPKMPTGS1XIAP
Hydrochloric Acid SCHEMBL6162896 0.98 HDAC8 (0.67) HDAC8ALPIPKMPTGS1XIAP
SCHEMBL27545467 0.91 HDAC8 (0.66) HDAC8ALPIPKMPTGS1XIAP
SCHEMBL6052908 0.91 HDAC8 (0.66) HDAC8ALPIPKMPTGS1XIAP
Hydrochloric Acid SCHEMBL6163613 0.89 HDAC8 (0.67) HDAC8ALPIPKMPTGS1XIAP

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20050261272-A1 Pyrrolopyridine-2-carboxylic acid amide inhibitors of glycogen phosphorylase PROSIDION LIMITED (GB) 2005-11-24 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-20070244090-A9 PYRROLOPYRIDINE-2-CARBOXYLIC ACID AMIDE INHIBITORS OF GLYCOGEN PHOSPHORYLASE PYGL, PYGM, PYGB HDAC8 1898/4885ALPI 24/4885PKM 159/4885
US-20090023703-A1 Pyrrolopyridine-2-carboxylic acid amide inhibitors of glycogen phosphorylase PYGL, PYGM, PYGB HDAC8 1898/4885ALPI 24/4885PKM 159/4885
US-20050261272-A1 Pyrrolopyridine-2-carboxylic acid amide inhibitors of glycogen phosphorylase PYGL, PYGM, PYGB HDAC8 1898/4885ALPI 24/4885PKM 159/4885

“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.