SCHEMBL423063

SCHEMBL423063

O=C([O-])COCC(=O)[O-].[Na+].[Na+]

nearest known ligand 0.47

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 15)

geneUniProtsupporting neighboursconfidence
CA4 known ✓ P22748 5/20 0.47
CA2 known ✓ P00918 1/20 0.36
CA1 known ✓ P00915 3/20 0.35
CASP1 P29466 1/20 0.44
FFAR3 O14843 2/20 0.38
HDAC3 O15379 2/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC2 Q92769 2/20 0.38
HDAC8 Q9BY41 2/20 0.38
FAHD1 Q6P587 1/20 0.38
CTSL P07711 1/20 0.33
MEN1 O00255 1/20 0.32
LDHA P00338 1/20 0.32
BLM P54132 1/20 0.32
KMT2A Q03164 1/20 0.32

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
Water SCHEMBL10804583 0.97 CA4 (0.44) CA4CASP1FFAR3HDAC3HDAC1
Zinc Ion SCHEMBL29443816 0.93 CA4 (0.41) CA4CASP1FFAR3HDAC3HDAC1
SCHEMBL16504394 0.93 CA4 (0.41) CA4CASP1FFAR3HDAC3HDAC1
SCHEMBL30542449 0.93 CA4 (0.41) CA4CASP1FFAR3HDAC3HDAC1
SCHEMBL30697531 0.93 CA4 (0.41) CA4CASP1FFAR3HDAC3HDAC1
SCHEMBL30776751 0.93 CA4 (0.41) CA4CASP1FFAR3HDAC3HDAC1
SCHEMBL7522991 0.93 CA4 (0.41) CA4CASP1FFAR3HDAC3HDAC1
SCHEMBL30045530 0.93 CA4 (0.41) CA4CASP1FFAR3HDAC3HDAC1
SCHEMBL16504393 0.93 CA4 (0.41) CA4CASP1FFAR3HDAC3HDAC1
Lithium Ion SCHEMBL29934334 0.93 CA4 (0.41) CA4CASP1FFAR3HDAC3HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3221417-B2 METHOD OF MINERAL OIL PRODUCTION BASF SE (DE) 2025-12-10 EP claimed
EP-3500247-B1 IMMEDIATE RELEASE TABLET OF A BENZOTHIOPHENE COMPOUND H E X A L AG (DE) 2020-05-27 EP claimed
EP-3500247-A1 IMMEDIATE RELEASE TABLET OF A BENZOTHIOPHENE COMPOUND H e x a l Aktiengesellschaft (DE) 2019-06-26 EP claimed
WO-2018033481-A1 IMMEDIATE RELEASE TABLET OF A BENZOTHIOPHENE COMPOUND H E X A L AKTIENGESELLSCHAFT (DE) 2018-02-22 WO claimed
US-20130190373-A1 ANGIOTENSIN II RECEPTOR ANTAGONIST FOR THE PREVENTION OR TREATMENT OF SYSTEMIC DISEASES IN CATS BOEHRINGER INGELHEIM VETMEDICA GMBH (DE) 2013-07-25 US claimed
US-20130143937-A1 CHLORTHALIDONE COMBINATIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-06 US claimed
EP-1648515-B1 CHLORTHALIDONE COMBINATIONS BOEHRINGER INGELHEIM INT (DE) 2012-11-21 EP claimed
US-20100003341-A1 COMPOSITION WITH A BACTERICIDAL, FUNGICIDAL, VIRICIDAL AND INSECTICIDAL ACTION AND COMPOSITION ACTING AS A REPELLENT BESENDORFER THOMAS 2010-01-07 US claimed
US-20090104262-A9 Chlorthalidone combinations BRAND GERRIT 2009-04-23 US claimed
US-20070160665-A1 Chlorthalidone combinations BRAND GERRIT 2007-07-12 US claimed
EP-1648515-A1 CHLORTHALIDONE COMBINATIONS Boehringer Ingelheim International GmbH (DE) 2006-04-26 EP claimed
WO-2005014043-A1 CHLORTHALIDONE COMBINATIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-02-17 WO claimed
US-4304680-A Laundry soap COLGATE-PALMOLIVE COMPANY (US) 1981-12-08 US claimed
US-3962106-A DETERGENTS LEVER BROTHERS COMPANY (US) 1976-06-08 US claimed
US-3941723-A Crystallized alkali metal silicate with sequestering agents PHILADELPHIA QUARTZ COMPANY (US) 1976-03-02 US claimed
US-20260042948-A1 SURFACTANT COMPOSITION FOR DIRECT EMULSION DRILLING FLUID SCHLUMBERGER TECHNOLOGY CORP (US) 2026-02-12 US disclosed
EP-4687818-A1 COMPOSITION COMPRISING AN ALKYL- AND/OR ALKENYLGLYCOSIDE KAO CORPORATION, S.A. (ES) 2026-02-11 EP disclosed
US-3936448-A DETERGENTS, BUILDERS LEVER BROTHERS COMPANY (US) 1976-02-03 US disclosed
US-3935206-A Sulfosuccinate derivatives as detergent builders LEVER BROTHERS COMPANY (US) 1976-01-27 US disclosed
US-3717676-A SYNTHESIS OF OXYCARBOXYLIC ACID SALTS AIR PROD & CHEM 1973-02-20 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-20130190373-A1 ANGIOTENSIN II RECEPTOR ANTAGONIST FOR THE PREVENTION OR TREATMENT OF SYSTEMIC DISEASES IN CATS AGTR1, AGTR2, AGT CA4 1649/4885CA2 403/4885CA1 1718/4885
US-20070160665-A1 Chlorthalidone combinations AGTR2, AGTR1, AGT CA4 211/4885CA2 83/4885CA1 3068/4885
US-20130143937-A1 CHLORTHALIDONE COMBINATIONS AGTR2, AGTR1, AGT CA4 211/4885CA2 83/4885CA1 3068/4885
US-20260042948-A1 SURFACTANT COMPOSITION FOR DIRECT EMULSION DRILLING FLUID DEGS1, DGAT1, DSG1 CA4 1107/4885CA2 581/4885CA1 314/4885
US-20090104262-A9 Chlorthalidone combinations AGTR2, AGTR1, AGT CA4 211/4885CA2 83/4885CA1 3068/4885

“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.