SCHEMBL724527

SCHEMBL724527

CCC(CC)(C(=O)[O-])C(=O)C(=O)O.[Na+]

nearest known ligand 0.38

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

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 11)

geneUniProtsupporting neighboursconfidence
CA1 known ✓ P00915 2/20 0.31
CA4 known ✓ P22748 1/20 0.31
FFAR3 O14843 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
CYP3A4 P08684 1/20 0.30
TSHR P16473 1/20 0.30
NFKB1 P19838 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL548962 0.83 CA4 (0.35) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL105435 0.82 FFAR3 (0.41) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL717124 0.80 FFAR3 (0.36) FFAR3HDAC3HDAC1HDAC2HDAC8
Potassium Ion SCHEMBL21269387 0.79 CA4 (0.40) FFAR3HDAC3HDAC1HDAC2HDAC8
Lithium Ion SCHEMBL21268800 0.79 FFAR3 (0.39) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL717123 0.79 FFAR3 (0.39) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL3062956 0.77 ALDH1A1 (0.38) FFAR3TSHR
SCHEMBL17433672 0.76 FFAR3 (0.36) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL21269349 0.76 FFAR3 (0.36) FFAR3HDAC3HDAC1HDAC2HDAC8
Lithium Ion SCHEMBL107373 0.76 FFAR3 (0.36) FFAR3HDAC3HDAC1HDAC2HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230210735-A1 PREVENTION, REDUCTION, OR AMELIORATION OF OLD PERSON SMELL FIRMENICH SA (CH) 2023-07-06 US claimed
EP-4164587-A1 PREVENTION, REDUCTION, OR AMELIORATION OF OLD PERSON SMELL Firmenich SA (CH) 2023-04-19 EP claimed
WO-2021250130-A1 PREVENTION, REDUCTION, OR AMELIORATION OF OLD PERSON SMELL FIRMENICH SA (CH) 2021-12-16 WO claimed
CN-107602809-B High-solid-content aqueous polyurethane dispersion liquid based on aminocarboxylate and sulfamate simultaneously 温州大学 2020-05-22 CN claimed
EP-2575807-B1 FORMULATION BASED ON SULPIRIDE AND A SYNERGISTIC HOMEOPATHIC COMPOSITION FOR TREATMENT OF DEPRESSIVE SYNDROME NOVAK MAJA (HR) 2014-02-19 EP claimed
EP-2575807-A1 FORMULATION BASED ON SULPIRIDE AND A SYNERGISTIC HOMEOPATHIC COMPOSITION FOR TREATMENT OF DEPRESSIVE SYNDROME Novak, Maja (HR) 2013-04-10 EP claimed
WO-2011148203-A1 FORMULATION BASED ON SULPIRIDE AND A SYNERGISTIC HOMEOPATHIC COMPOSITION FOR TREATMENT OF DEPRESSIVE SYNDROME NOVAK MAJA (HR) 2011-12-01 WO claimed
US-12435294-B2 Prevention of the oxidation of perfumery raw materials and food raw materials FIRMENICH SA (CH) 2025-10-07 US disclosed
CN-119097576-A Preventing oxidation of flavor raw material and food raw material 弗门尼舍有限公司 2024-12-10 CN disclosed
US-20230210735-A1 PREVENTION, REDUCTION, OR AMELIORATION OF OLD PERSON SMELL FIRMENICH SA (CH) 2023-07-06 US disclosed
EP-4164587-A1 PREVENTION, REDUCTION, OR AMELIORATION OF OLD PERSON SMELL Firmenich SA (CH) 2023-04-19 EP disclosed
US-20210395638-A1 PREVENTION OF THE OXIDATION OF PERFUMERY RAW MATERIALS AND FOOD RAW MATERIALS FIRMENICH SA (CH) 2021-12-23 US disclosed
WO-2021250130-A1 PREVENTION, REDUCTION, OR AMELIORATION OF OLD PERSON SMELL FIRMENICH SA (CH) 2021-12-16 WO disclosed
WO-2011148203-A1 FORMULATION BASED ON SULPIRIDE AND A SYNERGISTIC HOMEOPATHIC COMPOSITION FOR TREATMENT OF DEPRESSIVE SYNDROME NOVAK MAJA (HR) 2011-12-01 WO disclosed
US-20110009381-A1 SOLUBILIZED THIAZOLOPYRIDINES SIRTIS PHARMACEUTICALS, INC. (US) 2011-01-13 US disclosed
EP-2217606-A1 SOLUBILIZED THIAZOLOPYRIDINES Sirtris Pharmaceuticals, Inc. (US) 2010-08-18 EP disclosed
US-20100029761-A1 NOVEL COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME, AND METHODS OF USE FOR SAME FAS SECURED CREDITORS HOLDCO, LLC 2010-02-04 US disclosed
WO-2009061453-A1 SOLUBILIZED THIAZOLOPYRIDINES SIRTRIS PHARMACEUTICALS, INC. (US) 2009-05-14 WO disclosed
WO-2007014247-A2 NOVEL COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME, AND METHODS OF USE FOR SAME JOHNS HOPKINS UNIVERSITY (US) 2007-02-01 WO disclosed
US-4277476-A ANTI-ANOXIA AND PSYCHOTROPIC AGENTS SYNTHELABO (FR) 1981-07-07 US 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 (5 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-20110009381-A1 SOLUBILIZED THIAZOLOPYRIDINES SIRT3, SIRT1, SIRT2 CA1 4716/4885CA4 4646/4885FFAR3 1226/4885
US-12435294-B2 Prevention of the oxidation of perfumery raw materials and food raw materials CUTA, MPO, GPX4 CA1 4559/4885CA4 4123/4885FFAR3 82/4885
US-20230210735-A1 PREVENTION, REDUCTION, OR AMELIORATION OF OLD PERSON SMELL ACHE, RBP4, LPO CA1 695/4885CA4 576/4885FFAR3 3738/4885
US-20210395638-A1 PREVENTION OF THE OXIDATION OF PERFUMERY RAW MATERIALS AND FOOD RAW MATERIALS CUTA, MPO, GPX4 CA1 4559/4885CA4 4123/4885FFAR3 82/4885
US-20100029761-A1 NOVEL COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME, AND METHODS OF USE FOR SAME NR1H4, CYP3A4, CYP4A11 CA1 3448/4885CA4 674/4885FFAR3 151/4885

“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.