SCHEMBL548962

SCHEMBL548962

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

nearest known ligand 0.39

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 12)

geneUniProtsupporting neighboursconfidence
CA4 known ✓ P22748 4/20 0.35
CA1 known ✓ P00915 2/20 0.32
FFAR3 O14843 2/20 0.35
HDAC3 O15379 2/20 0.35
HDAC1 Q13547 2/20 0.35
HDAC2 Q92769 2/20 0.35
HDAC8 Q9BY41 2/20 0.35
FAHD1 Q6P587 1/20 0.33
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31
NFKB1 P19838 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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 SCHEMBL21269387 0.87 CA4 (0.40) CA4FFAR3HDAC3HDAC1HDAC2
Potassium Ion SCHEMBL104872 0.84 CA4 (0.37) CA4FFAR3HDAC3HDAC1HDAC2
SCHEMBL105435 0.84 FFAR3 (0.41) CA4FFAR3HDAC3HDAC1HDAC2
SCHEMBL724527 0.83 FFAR3 (0.33) CA4FFAR3HDAC3HDAC1HDAC2
Potassium Ion SCHEMBL107736 0.81 CA4 (0.35) CA4FFAR3HDAC3HDAC1HDAC2
Potassium Ion SCHEMBL21269182 0.81 CA4 (0.35) CA4FFAR3HDAC3HDAC1HDAC2
Lithium Ion SCHEMBL21268800 0.81 FFAR3 (0.39) CA4FFAR3HDAC3HDAC1HDAC2
SCHEMBL717123 0.81 FFAR3 (0.39) CA4FFAR3HDAC3HDAC1HDAC2
SCHEMBL17433672 0.78 FFAR3 (0.36) CA4FFAR3HDAC3HDAC1HDAC2
SCHEMBL21269015 0.78 FFAR3 (0.36) CA4FFAR3HDAC3HDAC1HDAC2

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 95 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
EP-0434940-B1 N-oxygenated arylpyrrole, insecticidal, acaricidal and nematicidal agents AMERICAN CYANAMID CO (US) 1996-05-29 EP claimed
US-4902819-A Preparation of sodium diethyl oxalacetate HOECHST CELANESE CORPORATION (US) 1990-02-20 US claimed
EP-4680608-A1 2,6-DIHYDRO-7H-PYRAZOLO[3,4-C]PYRIDIN-7-ONE DERIVATIVES AS ANTI-MALARIAL AGENTS MMV Medicines for Malaria Venture (CH) 2026-01-21 EP disclosed
US-20240208990-A1 SPIRO-COMPOUNDS AND COMPOSITIONS INCLUDING THE SAME SOLVENTUM INTELLECTUAL PROPERTIES COMPANY 2024-06-27 US disclosed
EP-4347602-A1 SPIRO-COMPOUNDS AND COMPOSITIONS INCLUDING THE SAME Solventum Intellectual Properties Company (US) 2024-04-10 EP 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
EP-0520573-A1 Cyclic imide derivatives GLAXO INC. (US) 1992-12-30 EP disclosed
US-4737585-A Process for the preparation of sodium amoxycillin ANTIBIOTICOS S.A. (ES) 1988-04-12 US disclosed
EP-0220925-A1 A process for the preparation of sodium amoxycillin Antibioticos, S.A. (ES) 1987-05-06 EP disclosed
EP-0125276-A1 NEW CHELATE FORMING BISQUINOLINE COMPOUNDS AND PROCESSES FOR RECOVERING METALS HÖGBERG, Sverker (SE) 1984-11-21 EP disclosed
WO-1984001946-A1 NEW CHELATE FORMING BISQUINOLINE COMPOUNDS AND PROCESSES FOR RECOVERING METALS HOEGBERG SVERKER 1984-05-24 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 (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-20240208990-A1 SPIRO-COMPOUNDS AND COMPOSITIONS INCLUDING THE SAME REN, PKD1, SAV1 CA4 591/4885CA1 429/4885FFAR3 1869/4885
US-20230210735-A1 PREVENTION, REDUCTION, OR AMELIORATION OF OLD PERSON SMELL ACHE, RBP4, LPO CA4 576/4885CA1 695/4885FFAR3 3738/4885

“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.