Malic Acid

Malic Acid

SCHEMBL339198

C[C@@H](CN)c1ccccc1.O=C(O)C[C@@H](O)C(=O)O

nearest known ligand 0.63

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

CACNA1CCACNA1DCACNA1FCACNA1SCSF1RDRD2FLT1FLT3FLT4HTR1BHTR1DHTR1FKDRKITMETOPRD1OPRK1OPRM1PDGFRAPDGFRBRET

The experimentally established mechanism targets of Malic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.63
GABBR2 O75899 1/20 0.54
GABBR1 Q9UBS5 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.50
FFAR1 O14842 1/20 0.47
CYP2C19 P33261 1/20 0.42
GAA P10253 1/20 0.42
LMNA P02545 2/20 0.41
MAPK1 P28482 1/20 0.41
AOC3 Q16853 1/20 0.41
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40

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
Malic Acid SCHEMBL7191878 1.00 TAAR1 (0.63) TAAR1GABBR2GABBR1SMN1; SMN2FFAR1
Malic Acid SCHEMBL6787423 1.00 TAAR1 (0.63) TAAR1GABBR2GABBR1SMN1; SMN2FFAR1
Malic Acid SCHEMBL339196 1.00 TAAR1 (0.63) TAAR1GABBR2GABBR1SMN1; SMN2FFAR1
Bicarbonate SCHEMBL9490583 0.84 TAAR1 (0.83) TAAR1GABBR2GABBR1FFAR1GAA
Isopropylbenzene SCHEMBL6787420 0.83 SMN1; SMN2 (0.54) GABBR2GABBR1SMN1; SMN2FFAR1CYP2C19
SCHEMBL240503 0.80 TAAR1 (1.00) TAAR1AOC3
SCHEMBL238388 0.80 TAAR1 (1.00) TAAR1AOC3
SCHEMBL2107 0.80 TAAR1 (1.00) TAAR1AOC3
Mandelic Acid SCHEMBL3711577 0.79 LMNA (0.69) GABBR2GABBR1SMN1; SMN2FFAR1CYP2C19
Glycine SCHEMBL8726564 0.79 FFAR1 (0.62) TAAR1GABBR2GABBR1FFAR1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8097652-B2 AMPA receptor potentiators ELI LILLY AND COMPANY (US) 2012-01-17 US disclosed
US-20100010090-A1 AMPA RECEPTOR POTENTIATORS ELI LILLY AND COMPANY 2010-01-14 US disclosed
EP-2102153-A1 AMPA RECEPTOR POTENTIATORS Eli Lilly & Company (US) 2009-09-23 EP disclosed
WO-2008073789-A1 AMPA RECEPTOR POTENTIATORS ELI LILLY AND COMPANY (US) 2008-06-19 WO disclosed
CN-1769266-A Process for preparing biphenyl compounds LILLY CO ELI (US) 2006-05-10 CN disclosed
US-6984756-B2 Process for preparing biphenyl compounds ELI LILLY AND COMPANY (US) 2006-01-10 US disclosed
EP-1294683-B1 A PROCESS FOR PREPARING BIPHENYL COMPOUNDS LILLY CO ELI (US) 2005-11-30 EP disclosed
CN-1219756-C Process for producing biphenyl compound LILLY CO ELI (US) 2005-09-21 CN disclosed
US-20040235957-A1 Use of sulfonamide derivatives as pharmaceuticals compounds BLEAKMAN DAVID (US) 2004-11-25 US disclosed
US-6803484-B2 Sulfonamide derivatives ELI LILLY AND COMPANY 2004-10-12 US disclosed
EP-1294683-A2 A PROCESS FOR PREPARING BIPHENYL COMPOUNDS ELI LILLY AND COMPANY (US) 2003-03-26 EP disclosed
EP-1292311-A2 COMBINATION THERAPY FOR THE TREATMENT OF DEPRESSION COMPRISING AN ANTIDEPRESSANT AND AN AMPA RECEPTOR POTENTIATOR ELI LILLY AND COMPANY (US) 2003-03-19 EP disclosed
WO-2002089848-A2 USE OF AN AMPA RECEPTOR POTENTIATOR FOR THE MANUFACTURE OF A MEDICAMENT FOR THE TREATMENT OF TYPE 2 DIABETES ELI LILLY AND COMPANY (US) 2002-11-14 WO disclosed
WO-2002018329-A1 ACETYLENIC SULFONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 2002-03-07 WO disclosed
WO-2002014294-A2 HETEROCYCLIC SULFONAMIDE DERIVATIVES AND THEIR USE FOR POTENTIATING GLUTAMATE RECEPTOR FUNCTION ELI LILLY AND COMPANY (US) 2002-02-21 WO disclosed
WO-2001090057-A1 SULFONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 2001-11-29 WO disclosed
WO-2001090055-A2 A PROCESS FOR PREPARING BIPHENYL COMPOUNDS ELI LILLY AND COMPANY (US) 2001-11-29 WO disclosed
WO-2001089510-A2 USE OF AN AMPA RECEPTOR POTENTIATOR FOR THE TREATMENT OF OBESITY ELI LILLY AND COMPANY (US) 2001-11-29 WO disclosed
WO-2001089530-A2 COMBINATION THERAPY FOR TREATMENT OF DEPRESSION COMPRISING AN ANTIDEPRESSANT AND AN AMPA RECEPTOR POTENTIATOR ELI LILLY AND COMPANY (US) 2001-11-29 WO disclosed
WO-2001090056-A1 SULFONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 2001-11-29 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 (2 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-20100010090-A1 AMPA RECEPTOR POTENTIATORS GRIN1, GRIK2, GRIK1 TAAR1 109/4885GABBR2 64/4885GABBR1 65/4885
US-20040235957-A1 Use of sulfonamide derivatives as pharmaceuticals compounds GABRE, SCN2A, SCN1A TAAR1 1353/4885GABBR2 21/4885GABBR1 9/4885

“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.