SCHEMBL3140983

SCHEMBL3140983

NC(=O)c1ccccc1C(=O)[CH]CO

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.47
KDM4E B2RXH2 7/20 0.47
ALDH1A1 P00352 5/20 0.47
MAPT P10636 4/20 0.47
HPGD P15428 3/20 0.47
HSD17B10 Q99714 3/20 0.47
TSHR P16473 2/20 0.47
METAP2 P50579 1/20 0.44
LMNA P02545 1/20 0.40
NPC1 O15118 3/20 0.39
RAB9A P51151 2/20 0.39
POLB P06746 2/20 0.39
TP53 P04637 1/20 0.39
PKM P14618 1/20 0.39
NFKB1 P19838 1/20 0.39
CASP1 P29466 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL5578215 0.81 KDM4E (0.49) BCAT2KDM4EALDH1A1MAPTHPGD
SCHEMBL3136973 0.79 ADRA1D (0.46) BCAT2KDM4EALDH1A1MAPTHPGD
Allyl Alcohol SCHEMBL29155882 0.79 KDM4E (0.54) BCAT2KDM4EALDH1A1MAPTHPGD
SCHEMBL4967588 0.78 ALDH1A1 (0.70) BCAT2KDM4EALDH1A1MAPTHPGD
SCHEMBL39118 0.78 ALDH1A1 (0.70) BCAT2KDM4EALDH1A1MAPTHPGD
SCHEMBL27700719 0.78 ALDH1A1 (0.70) BCAT2KDM4EALDH1A1MAPTHPGD
SCHEMBL21616631 0.77 ALDH1A1 (0.52) BCAT2KDM4EALDH1A1MAPTHPGD
Alcohol SCHEMBL8861714 0.76 KDM4E (0.56) BCAT2KDM4EALDH1A1MAPTHPGD
SCHEMBL28675532 0.75 KDM4E (0.50) BCAT2KDM4EALDH1A1MAPTHPGD
SCHEMBL317508 0.75 ALDH1A1 (0.67) BCAT2KDM4EALDH1A1MAPTHPGD

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
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
US-6090825-A Oxazole derivatives as antagonists of alpha 1C andrenergic receptors GLAXO WELLCOME INC. (US) 2000-07-18 US disclosed
EP-0793658-A1 OXAZOLE DERIVATIVES AS ANTAGONISTS OF ALPHA-1C ADRENERGIC RECEPTORS GLAXO WELLCOME INC. (US) 1997-09-10 EP disclosed
WO-1996016049-A1 OXAZOLE DERIVATIVES AS ANTAGONISTS OF α-1C ADRENERGIC RECEPTORS GLAXO WELLCOME INC. (US) 1996-05-30 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 BCAT2 232/4885KDM4E 2422/4885ALDH1A1 720/4885
US-20090023703-A1 Pyrrolopyridine-2-carboxylic acid amide inhibitors of glycogen phosphorylase PYGL, PYGM, PYGB BCAT2 232/4885KDM4E 2422/4885ALDH1A1 720/4885
US-20050261272-A1 Pyrrolopyridine-2-carboxylic acid amide inhibitors of glycogen phosphorylase PYGL, PYGM, PYGB BCAT2 232/4885KDM4E 2422/4885ALDH1A1 720/4885

“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.