SCHEMBL4633014

SCHEMBL4633014

CCC(=O)C(=O)[O-].CCC(=O)C(=O)[O-].[Mg+2]

nearest known ligand 0.56

Known targets — ChEMBL curated mechanism

ATP4AATP4BGABBR1GABBR2HMGCR

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 3/20 0.41
CA4 P22748 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HDAC3 O15379 2/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC2 Q92769 2/20 0.40
HDAC8 Q9BY41 2/20 0.40
CA1 P00915 3/20 0.38
FAHD1 Q6P587 1/20 0.38
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
NFKB1 P19838 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
Potassium Ion SCHEMBL3483407 0.96
SCHEMBL7064730 0.93 CA4 (0.47) FFAR3CA4TDP1ALDH1A1HDAC3
SCHEMBL1332396 0.93
SCHEMBL9342808 0.93 FFAR3 (0.41) FFAR3CA4TDP1ALDH1A1HDAC3
SCHEMBL3851900 0.93
Pyruvate SCHEMBL31434671 0.80 CA4 (0.50) FFAR3CA4TDP1ALDH1A1HDAC3
Propionic Acid SCHEMBL29493216 0.77 FFAR3 (0.53) FFAR3CA4TDP1ALDH1A1HDAC3
Propionic Acid SCHEMBL106190 0.77
Propionic Acid SCHEMBL4896693 0.77 FFAR3 (0.53) FFAR3CA4TDP1ALDH1A1HDAC3
Propionic Acid SCHEMBL240639 0.77 FFAR3 (0.53) FFAR3CA4TDP1ALDH1A1HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1830828-A4 USE OF METHYL PYRUVATE TO INCREASE CELLULAR ENERGY PRODUCTION DOWNSTREAM OF GLYCOLYSIS ANTOSH & MEDURI HOLDING CORP (US) 2008-07-02 EP claimed
EP-1781108-A4 USE OF METHYL PYRUVATE FOR THE PURPOSE OF INCREASING MUSCLE ENERGY PRODUCTION ANTOSH STANLEY C (US) 2008-06-04 EP claimed
EP-1830828-A2 USE OF METHYL PYRUVATE TO INCREASE CELLULAR ENERGY PRODUCTION DOWNSTREAM OF GLYCOLYSIS Antosh & Meduri Holding Corporation (US) 2007-09-12 EP claimed
EP-1796460-A2 USE OF METHYL PYRUVATE OR METHYL PYRUVIC ACID FOR THE TREATMENT OF DISEASES OF THE NERVOUS SYSTEM AND FOR PROTECTING A HUMAN CENTRAL NERVOUS SYSTEM AGAINST NEURONAL DEGENERATION CAUSED BY DEFECTIVE INTRACELLULAR ENERGY PRODUCTION Antosh, Stanley C. (US) 2007-06-20 EP claimed
EP-1781108-A2 USE OF METHYL PYRUVATE FOR THE PURPOSE OF INCREASING MUSCLE ENERGY PRODUCTION Antosh, Stanley C. (US) 2007-05-09 EP claimed
WO-2006055764-A2 USE OF METHYL PYRUVATE TO INCREASE CELLULAR ENERGY PRODUCTION DOWNSTREAM OF GLYCOLYSIS ANTOSH STANLEY C (US) 2006-05-26 WO claimed
US-20060111442-A1 Use of methyl pyruvate to increase cellular energy production downstream of glycolysis for the PARP-1 ablation of HIV without necrotic cell death caused by continuous, chronic PARP-1 activation through the concomitant depletion of ATP and NAD. Antosh, Mr. Stanley (US) 2006-05-25 US claimed
WO-2006028948-A2 USE OF METHYL PYRUVATE OR METHYL PYRUVIC ACID FOR THE TREATMENT OF DISEASES OF THE NERVOUS SYSTEM AND FOR PROTECTING A HUMAN CENTRAL NERVOUS SYSTEM AGAINST NEURONAL DEGENERATION CAUSED BY DEFECTIVE INTRACELLULAR ENERGY PRODUCTION ANTOSH STANLEY C (US) 2006-03-16 WO claimed
US-20060052448-A1 Use of methyl pyruvate or methyl pyruvic acid for the treatment of diseases of the nervous system and for protecting a human central nervous system against neuronal degeneration caused by defective intracellular energy production. Antosh, Mr. Stanley (US) 2006-03-09 US claimed
WO-2006017590-A2 USE OF METHYL PYRUVATE FOR THE PURPOSE OF REDUCING WEIGHT GAIN IN MAMMALS ANTOSH STANLEY C (US) 2006-02-16 WO claimed
WO-2006015232-A2 USE OF METHYL PYRUVATE FOR THE PURPOSE OF INCREASING MUSCLE ENERGY PRODUCTION ANTOSH STANLEY C (US) 2006-02-09 WO claimed
US-20060025475-A1 Use of methyl pyruvate for the purpose of increasing muscle energy production. Antosh, Stanley (US) 2006-02-02 US claimed
US-20060025476-A1 Use of methyl pyruvate for the purpose of reducing weight gain in mammals. Antosh, Stanley (US) 2006-02-02 US claimed
EP-1781108-A4 USE OF METHYL PYRUVATE FOR THE PURPOSE OF INCREASING MUSCLE ENERGY PRODUCTION ANTOSH STANLEY C (US) 2008-06-04 EP disclosed
WO-2006017590-A3 USE OF METHYL PYRUVATE FOR THE PURPOSE OF REDUCING WEIGHT GAIN IN MAMMALS ANTOSH STANLEY C (US) 2007-08-16 WO disclosed
EP-1781108-A2 USE OF METHYL PYRUVATE FOR THE PURPOSE OF INCREASING MUSCLE ENERGY PRODUCTION Antosh, Stanley C. (US) 2007-05-09 EP disclosed
WO-2006017590-A2 USE OF METHYL PYRUVATE FOR THE PURPOSE OF REDUCING WEIGHT GAIN IN MAMMALS ANTOSH STANLEY C (US) 2006-02-16 WO disclosed
WO-2006015232-A2 USE OF METHYL PYRUVATE FOR THE PURPOSE OF INCREASING MUSCLE ENERGY PRODUCTION ANTOSH STANLEY C (US) 2006-02-09 WO disclosed
US-20060025475-A1 Use of methyl pyruvate for the purpose of increasing muscle energy production. Antosh, Stanley (US) 2006-02-02 US disclosed
US-20060025476-A1 Use of methyl pyruvate for the purpose of reducing weight gain in mammals. Antosh, Stanley (US) 2006-02-02 US disclosed