SCHEMBL284370

SCHEMBL284370

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

nearest known ligand 0.56

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 13)

geneUniProtsupporting neighboursconfidence
CA4 known ✓ P22748 5/20 0.56
CA1 known ✓ P00915 4/20 0.42
CA2 known ✓ P00918 2/20 0.42
CA12 known ✓ O43570 1/20 0.42
FFAR3 O14843 2/20 0.45
HDAC3 O15379 2/20 0.45
HDAC1 Q13547 2/20 0.45
HDAC2 Q92769 2/20 0.45
HDAC8 Q9BY41 2/20 0.45
CASP1 P29466 1/20 0.44
CA9 Q16790 1/20 0.42
FAHD1 Q6P587 1/20 0.38
BBOX1 O75936 1/20 0.36

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
SCHEMBL30998842 1.00 CA4 (0.56) CA4FFAR3HDAC3HDAC1HDAC2
SCHEMBL30917295 0.97 CA4 (0.53) CA4FFAR3HDAC3HDAC1HDAC2
Water SCHEMBL10705905 0.97 CA4 (0.53) CA4FFAR3HDAC3HDAC1HDAC2
SCHEMBL29707468 0.94 CA4 (0.50) CA4FFAR3HDAC3HDAC1HDAC2
SCHEMBL112322 0.94
SCHEMBL1882178 0.93 CA4 (0.50) CA4FFAR3HDAC3HDAC1HDAC2
SCHEMBL2947828 0.93 CA4 (0.50) CA4FFAR3HDAC3HDAC1HDAC2
SCHEMBL5183804 0.93 CA4 (0.50) CA4FFAR3HDAC3HDAC1HDAC2
SCHEMBL329100 0.93 CA4 (0.50) CA4FFAR3HDAC3HDAC1HDAC2
Lithium Ion SCHEMBL3464173 0.93 CA4 (0.50) 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 555 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122080673-A Rare earth nano coating with high bonding energy and preparation method and application thereof 2026-05-26 CN claimed
CN-119263329-B Preparation method of barium hydroxide octahydrate 山东辰安化学有限公司 2025-05-09 CN claimed
US-20250091013-A1 Three-Compartment Bipolar Membrane Electrodialysis Of Salts Of Amino Acids MONSANTO TECHNOLOGY LLC 2025-03-20 US claimed
CN-119499861-A Synergistic accelerator suitable for SNCR denitration and application thereof 华东理工大学 2025-02-25 CN claimed
CN-119481578-A Sodium ion battery diaphragm coating slurry, coated diaphragm and sodium ion battery 湖南裕能新能源电池材料股份有限公司 2025-02-18 CN claimed
CN-119409264-A Method for removing antimony by using zirconium functionalized adsorption resin 杨凌核盛辐照技术有限公司 2025-02-11 CN claimed
CN-119340608-A Separator, battery and electricity utilization device 宁德时代新能源科技股份有限公司 2025-01-21 CN claimed
CN-119263329-A Preparation method of barium hydroxide octahydrate 山东辰安化学有限公司 2025-01-07 CN claimed
US-12186709-B2 Three-compartment bipolar membrane electrodialysis of salts of amino acids MONSANTO TECHNOLOGY LLC (US) 2025-01-07 US claimed
CN-119020787-A Etching solution and application of etching solution in etching more than two layers of metal films 上海盛剑微电子有限公司 2024-11-26 CN claimed
WO-2001077054-A2 PROCESS AND CATALYST FOR DEHYDROGENATING PRIMARY ALCOHOLS TO MAKE CARBOXYLIC ACID SALTS MONSANTO TECHNOLOGY LLC (US) 2001-10-18 WO claimed
JP-2001508043-A 2001-06-19 JP claimed
WO-2000066539-A1 PROCESS FOR THE PREPARATION OF CARBOXYLIC ACID SALTS FROM PRIMARY ALCOHOLS MONSANTO TECHNOLOGY LLC (US) 2000-11-09 WO claimed
US-5986128-A ACIDIFICATION AND PHOSPHONATION MONSANTO COMPANY (US) 1999-11-16 US claimed
EP-0935595-A1 USE OF MONOSODIUM IMINODIACETIC ACID SOLUTIONS IN THE PREPARATION OF N-PHOSPHONOMETHYLIMINODIACETIC ACID MONSANTO COMPANY (US) 1999-08-18 EP claimed
WO-1998019992-A1 USE OF MONOSODIUM IMINODIACETIC ACID SOLUTIONS IN THE PREPARATION OF N-PHOSPHONOMETHYLIMINODIACETIC ACID MONSANTO COMPANY (US) 1998-05-14 WO claimed
EP-0165728-B1 NMR CONTRAST AGENTS NYCOMED AS (NO) 1988-12-14 EP claimed
EP-0180673-B1 MIXTURES CONTAINING NITRILOTRIACETIC ACID AND IMINODIACETIC ACID (OR SALTS THEREOF) AS A SEQUESTERING AGENT THE DOW CHEMICAL COMPANY (US) 1988-09-14 EP claimed
EP-0180673-A1 Mixtures containing nitrilotriacetic acid and iminodiacetic acid (or salts thereof) as a sequestering agent THE DOW CHEMICAL COMPANY (US) 1986-05-14 EP claimed
US-4486339-A CHELATION OF CALCIUM AND MAGNESIUM, DETERGENT FORMULATIONS THE DOW CHEMICAL COMPANY (US) 1984-12-04 US claimed

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-12186709-B2 Three-compartment bipolar membrane electrodialysis of salts of amino acids SLC1A3, SLC1A2, SLC1A1 CA4 1562/4885CA1 453/4885CA2 167/4885
US-20250091013-A1 Three-Compartment Bipolar Membrane Electrodialysis Of Salts Of Amino Acids SLC1A3, SLC1A2, SLC1A1 CA4 1562/4885CA1 453/4885CA2 167/4885

“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.