SCHEMBL4780965

SCHEMBL4780965

O=C(Nc1ccccc1B(O)O)C1CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.53
PKM P14618 1/20 0.53
CETP P11597 1/20 0.51
HDAC3 O15379 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC2 Q92769 1/20 0.51
ALDH1A1 P00352 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
HPGD P15428 2/20 0.51
KDM4E B2RXH2 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
HSD17B10 Q99714 1/20 0.51
TSHR P16473 2/20 0.49
MEN1 O00255 1/20 0.47
MAPT P10636 1/20 0.47
GFER P55789 1/20 0.47
KMT2A Q03164 1/20 0.47
GLA P06280 1/20 0.46
NAMPT P43490 1/20 0.46
ACHE P22303 1/20 0.46

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
SCHEMBL29953619 1.00 GAA (0.53) GAAPKMCETPHDAC3HDAC1
SCHEMBL28256532 0.79 GAA (0.55) GAAPKMCETPHDAC3HDAC1
SCHEMBL13342791 0.79 TDP1 (0.60) GAAPKMCETPHDAC3HDAC1
SCHEMBL17544709 0.77 GAA (0.60) GAAPKMCETPHDAC3HDAC1
SCHEMBL29721597 0.77 GAA (0.60) GAAPKMCETPHDAC3HDAC1
SCHEMBL28592805 0.77 CYP2C19 (0.64) GAAPKMCETPHDAC3HDAC1
SCHEMBL29954097 0.76 ALDH1A1 (0.54) GAAPKMCETPHDAC3HDAC1
SCHEMBL3559389 0.76 ALDH1A1 (0.63) GAAPKMCETPHDAC3HDAC1
SCHEMBL17450423 0.76 POLB (0.61) GAAPKMCETPHDAC3HDAC1
SCHEMBL3149525 0.76 RAB9A (0.45) GAAALDH1A1SMN1; SMN2HPGDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2718265-B1 PROCESS FOR PREPARING [(3-HYDROXYPYRIDINE-2-CARBONYL)AMINO]ALKANOIC ACIDS, ESTERS AND AMIDES AKEBIA THERAPEUTICS INC (US) 2015-12-16 EP claimed
US-9145366-B2 Process for preparing [(3-hydroxypyridine-2-carbonyl)amino]alkanoic acids, esters and amides AKEBIA THERAPEUTICS, INC. (US) 2015-09-29 US claimed
EP-2718265-A1 PROCESS FOR PREPARING [(3-HYDROXYPYRIDINE-2-CARBONYL)AMINO]ALKANOIC ACIDS, ESTERS AND AMIDES Akebia Therapeutics Inc. (US) 2014-04-16 EP claimed
WO-2012170377-A1 PROCESS FOR PREPARING [(3-HYDROXYPYRIDINE-2-CARBONYL)AMINO]ALKANOIC ACIDS, ESTERS AND AMIDES AKEBIA THERAPEUTICS INC. (US) 2012-12-13 WO claimed
US-20120309977-A1 PROCESS FOR PREPARING [(3-HYDROXYPYRIDINE-2-CARBONYL)AMINO]ALKANOIC ACIDS, ESTERS AND AMIDES AKEBIA THERAPEUTICS INC. (US) 2012-12-06 US claimed
EP-4026829-A1 PROCESS FOR PREPARING N-[[5-(3-CHLOROPHENYL)-3-HYDROXY-2-PYRIDINYL]CARBONYL]-GLYCINE FROM 5-(3-CHLOROPHENYL)-3-HYDROXY-2-PYRIDINE CARBOXYLIC ACID Akebia Therapeutics Inc. (US) 2022-07-13 EP disclosed
EP-3683209-A1 PROCESS FOR PREPARING [(5-(3-CHLOROPHENYL)-3-HYDROXYPYRIDINE-2-CARBONYL)-AMINO]ACETIC ACID FROM 5-((3-CHLOROPHENYL)-3-CHLORO-PYRIDIN-2-YL)-NITRILE, AND PROCESS FOR PREPARING 5-((HALOPHENYL)-3-HALO-PYRIDIN-2-YL)-NITRILE DERIVATIVES Akebia Therapeutics Inc. (US) 2020-07-22 EP disclosed
EP-3290404-A1 5-((HALOPHENYL)-3-HALO-PYRIDIN-2-YL)-NITRILE DERIVATIVES AS INTERMEDIATES IN THE PREPARATION OF [(5-(HALOPHENYL)-3-HYDROXYPYRIDINE-2-CARBONYL)-AMINO]ALKANOIC ACID DERIVATIVES Akebia Therapeutics Inc. (US) 2018-03-07 EP disclosed
EP-3000808-A1 5-ARYL OR 5-HETEROARYL SUBSTITUTED 3-HYDROXYPYRIDIN-2-YL-CARBONYLAMINO-ALKANOIC ACID DERIVATIVES AND SALTS THEREOF AS WELL AS THEIR PREPARATION FROM THE RESPECTIVE 3-HYDROXY-PICOLINIC ACID DERIVATIVES Akebia Therapeutics Inc. (US) 2016-03-30 EP disclosed
EP-2718265-B1 PROCESS FOR PREPARING [(3-HYDROXYPYRIDINE-2-CARBONYL)AMINO]ALKANOIC ACIDS, ESTERS AND AMIDES AKEBIA THERAPEUTICS INC (US) 2015-12-16 EP disclosed
WO-2008009078-A2 4,6-DL- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-01-24 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 (1 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-20120309977-A1 PROCESS FOR PREPARING [(3-HYDROXYPYRIDINE-2-CARBONYL)AMINO]ALKANOIC ACIDS, ESTERS AND AMIDES HPD, APEH, ALDH7A1 GAA 182/4885PKM 1455/4885CETP 2945/4885

“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.