Glutarate

Glutarate

SCHEMBL540985

O=C(O)CCCC(=O)O.O=S(=O)(O)O

nearest known ligand 0.73

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

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

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

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A6 Q4U2R8 2/20 0.73
LMNA P02545 4/20 0.62
TSHR P16473 4/20 0.59
NFKB1 P19838 2/20 0.59
PMP22 Q01453 1/20 0.59
CAMK2A Q9UQM7 1/20 0.53
APEX1 P27695 1/20 0.50
GABRR3 A8MPY1 1/20 0.50
GABRP O00591 1/20 0.50
GABRD O14764 1/20 0.50
HDAC3 O15379 1/20 0.50
GABBR2 O75899 1/20 0.50
CYP1A2 P05177 1/20 0.50
THRB P10828 1/20 0.50
GABRA1 P14867 1/20 0.50
GABRB1 P18505 1/20 0.50
GABRG2 P18507 1/20 0.50
GABRR1 P24046 1/20 0.50
GABRB3 P28472 1/20 0.50
GABRR2 P28476 1/20 0.50

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
Adipic Acid SCHEMBL540745 0.93 LMNA (0.73) SLC22A6LMNATSHRNFKB1PMP22
Adipic Acid SCHEMBL28221050 0.90 LMNA (0.69) SLC22A6LMNATSHRNFKB1PMP22
Sulfuric Acid SCHEMBL27476208 0.90 TSHR (0.75) SLC22A6LMNATSHRNFKB1PMP22
Azelaic Acid SCHEMBL29124511 0.88 TSHR (0.71) SLC22A6LMNATSHRNFKB1PMP22
Glutarate SCHEMBL9281949 0.88 SLC22A6 (0.65) SLC22A6LMNATSHRNFKB1PMP22
Azelaic Acid SCHEMBL29124519 0.88 TSHR (0.71) SLC22A6LMNATSHRNFKB1PMP22
Succinic Acid SCHEMBL285597 0.86 LMNA (0.69) SLC22A6LMNATSHRNFKB1PMP22
Glutarate SCHEMBL6701735 0.86
Glutarate SCHEMBL7414 0.86
Glutarate SCHEMBL27601182 0.86 SLC22A6 (1.00) SLC22A6LMNATSHRNFKB1PMP22

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11896697-B2 Composition for keratin fibers L'OREAL (FR) 2024-02-13 US disclosed
EP-4308093-A1 TOPICAL PHARMACEUTICAL COMPOSITION COMPRISING AMITRIPTYLINE AND AN ALKALINE AQUEOUS PHASE Algotherapeutix (FR) 2024-01-24 EP disclosed
US-20230103300-A1 TOPICAL PHARMACEUTICAL COMPOSITION IN GEL FORM COMPRISING AT LEAST AMITRIPTYLINE FOR USE IN THE TREATMENT OF CORONAVIRUS-INDUCED NEUROPATHIC PAIN ALGOTHERAPEUTIX (FR) 2023-04-06 US disclosed
US-20230103462-A1 TOPICAL PHARMACEUTICAL COMPOSITION IN GEL FORM COMPRISING AT LEAST AMITRIPTYLINE FOR USE IN THE TREATMENT OF NEUROPATHIC PHANTOM LIMB PAIN ALGOTHERAPEUTIX (FR) 2023-04-06 US disclosed
EP-4159195-A1 TOPICAL PHARMACEUTICAL COMPOSITION IN GEL FORM COMPRISING AT LEAST AMITRIPTYLINE FOR USE IN THE TREATMENT OF NEUROPATHIC PAIN INDUCED BY A CORONAVIRUS Algotherapeutix (FR) 2023-04-05 EP disclosed
EP-4159196-A1 TOPICAL PHARMACEUTICAL COMPOSITION IN GEL FORM COMPRISING AT LEAST L AMITRIPTYLINE FOR USE IN THE TREATMENT OF NEUROPATHIC PAIN FROM THE PHANTOM LIMB Algotherapeutix (FR) 2023-04-05 EP disclosed
EP-4106726-A1 TOPICAL PHARMACEUTICAL COMPOSITION IN THE FORM OF AN AQUEOUS GEL COMPRISING AT LEAST AMITRIPTYLINE Algotherapeutix (FR) 2022-12-28 EP disclosed
US-20220387594-A1 USE OF AMITRIPTYLINE AND/OR ONE OF THE PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS A PRESERVATIVE ALGOTHERAPEUTIX (FR) 2022-12-08 US disclosed
EP-4098249-A1 USE OF AMITRIPTYLINE AND/OR ONE OF ITS PHARMACEUTICALLY ACCEPTABLE SALTS AS A PRESERVATIVE AGENT Algotherapeutix (FR) 2022-12-07 EP disclosed
WO-2022117809-A1 PAPER PULP AND USES THEREOF GUIBOUT PIERRE ANTOINE (FR) 2022-06-09 WO disclosed
WO-2010070233-A2 KIT FOR COATING KERATIN SUBSTANCES COMPRISING A POLYSACCHARIDE AND A CHEMICAL CROSSLINKING AGENT L'OREAL (FR) 2010-06-24 WO disclosed
WO-2010070234-A2 KIT FOR COATING KERATIN SUBSTANCES COMPRISING A POLYSACCHARIDE AND AN IONIC OR DATIVE COMPLEXING AGENT L'OREAL (FR) 2010-06-24 WO disclosed
EP-2198846-A1 Oxidative hair dye composition comprising a fatty component, a thickener and a dye precursor. L'OREAL (FR) 2010-06-23 EP disclosed
WO-2010029267-A1 COSMETIC COMPOSITION CONTAINING QUATERNARY AMMONIUM ESTERS AND THICKENING POLYMERS, AND USE FOR HAIR CONDITIONING L'OREAL (FR) 2010-03-18 WO disclosed
EP-1992329-A1 Dyeing composition comprising an aminopyrazolopyridine oxidation base and a specific associative polymer L'Oréal (FR) 2008-11-19 EP disclosed
EP-1404288-B1 COMPOSITION FOR OXIDATION DYEING OF KERATINOUS FIBRES COMPRISING A AMINO PYRAZOLE AND A CELLULOSE COMPOUND OREAL (FR) 2008-10-29 EP disclosed
EP-1340485-B1 Aerosol foam composition containing a combination of a cationic vinylpyrrolidone polymer and a nonionic cellulosic compound and its use in cosmetics OREAL (FR) 2008-02-13 EP disclosed
EP-1404288-A2 COMPOSITION FOR OXIDATION DYEING OF KERATINOUS FIBRES COMPRISING A AMINO PYRAZOLE AND A CELLULOSE COMPOUND L'OREAL (FR) 2004-04-07 EP disclosed
EP-1340485-A2 Aerosol foam composition containg a combination of a vinylpyrrolidone cationic polymer and a cellulosic compound and its use in cosmetics L'OREAL (FR) 2003-09-03 EP disclosed
WO-2002051372-A2 COMPOSITION FOR OXIDATION DYEING OF KERATINOUS FIBRES COMPRISING A AMINO PYRAZOLE AND A CELLULOSE COMPOUND L'OREAL (FR) 2002-07-04 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 (4 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-11896697-B2 Composition for keratin fibers KRT18, PRKCZ, PRKCH SLC22A6 4368/4885LMNA 2738/4885TSHR 4415/4885
US-20230103462-A1 TOPICAL PHARMACEUTICAL COMPOSITION IN GEL FORM COMPRISING AT LEAST AMITRIPTYLINE FOR USE IN THE TREATMENT OF NEUROPATHIC PHANTOM LIMB PAIN PMP22, GAP43, SUCLG1 SLC22A6 1909/4885LMNA 2601/4885TSHR 4792/4885
US-20220387594-A1 USE OF AMITRIPTYLINE AND/OR ONE OF THE PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS A PRESERVATIVE TPH2, TPH1, SLC6A2 SLC22A6 333/4885LMNA 217/4885TSHR 3356/4885
US-20230103300-A1 TOPICAL PHARMACEUTICAL COMPOSITION IN GEL FORM COMPRISING AT LEAST AMITRIPTYLINE FOR USE IN THE TREATMENT OF CORONAVIRUS-INDUCED NEUROPATHIC PAIN GAP43, ACHE, ACE2 SLC22A6 1950/4885LMNA 2519/4885TSHR 4861/4885

“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.