SCHEMBL840203

SCHEMBL840203

CC(=O)Nc1ccc(S(=O)(=O)[O-])c2cc(S(=O)(=O)[O-])c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)[O-])cc4)c4ccc(S(=O)(=O)[O-])cc34)c(O)c12.[Na+].[Na+].[Na+].[Na+]

nearest known ligand 0.44

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 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 known ✓ P00918 1/20 0.43
▸ THRB known ✓ P10828 3/20 0.42
▸ SLC7A11 Q9UPY5 1/20 0.44
▸ CA3 P07451 1/20 0.43
▸ USP2 O75604 1/20 0.42
▸ PTPN1 P18031 1/20 0.42
▸ ATM Q13315 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ AMY1A P0DUB6 2/20 0.41
▸ F11 P03951 1/20 0.41
▸ POLB P06746 5/20 0.40
▸ KMT2A Q03164 5/20 0.40
▸ MAPT P10636 4/20 0.40
▸ TDP1 Q9NUW8 4/20 0.40
▸ LMNA P02545 3/20 0.40
▸ PKM P14618 3/20 0.40
▸ TSHR P16473 3/20 0.40
▸ NFKB1 P19838 3/20 0.40
▸ APEX1 P27695 3/20 0.40
▸ RECQL P46063 3/20 0.40

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
SCHEMBL840202 1.00 SLC7A11 (0.44) SLC7A11CA2CA3USP2PTPN1
SCHEMBL29356610 1.00 SLC7A11 (0.44) SLC7A11CA2CA3USP2PTPN1
SCHEMBL4801447 0.93 CD40 (0.46) SLC7A11CA2CA3THRBAMY1A
SCHEMBL4801488 0.93 CD40 (0.46) SLC7A11CA2CA3THRBAMY1A
SCHEMBL3756084 0.91 THRB (0.42) SLC7A11CA2CA3USP2PTPN1
SCHEMBL31279977 0.86 PRMT1 (0.48) CA2CA3THRBAMY1AF11
SCHEMBL184756 0.85 CA2 (0.52) CA2CA3THRBKMT2ATDP1
SCHEMBL18775362 0.85 CA2 (0.52) CA2CA3THRBKMT2ATDP1
SCHEMBL6120387 0.85 CA2 (0.52) CA2CA3THRBKMT2ATDP1
SCHEMBL8647387 0.85 CA2 (0.52) CA2CA3THRBKMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019216829-A1 APPLICATION OF A FOOD AZO DYE, BRILLIANT BLACK BN, ON INHIBITION OF INFECTIVITY OF HUMAN ENTEROVIRUSES CAUSING HAND FOOT AND MOUTH DISEASES TEMASEK LIFE SCIENCES LABORATORY LIMITED (SG) 2019-11-14 — — WO claimed
EP-2930126-B1 Fashionable aerosol dye HENKEL AG & CO KGAA (DE) 2019-10-09 — — EP claimed
US-8178359-B2 Masking of the background fluorescence and luminescence in the optical analysis of biomedical assays BAYER HEALTHCARE AG (DE) 2012-05-15 — — US claimed
US-20050147673-A1 Directly compressible sustained release formulation containing microcrystalline cellulose J. RETTENMAIER & SOEHNE GMBH + CO. KG (DE) 2005-07-07 — — US claimed
US-6395303-B1 Process for preparing a directly compressible solid dosage form containing microcrystalline cellulose EDWARD MENDELL CO., INC. 2002-05-28 — — US claimed
US-6106865-A MIXTURE OF MICROCRYSTALLINE CELLULOSE, COMPRESSIBILITY, SILICA AND SURFACTANTS EDWARD MENDELL CO., INC. (US) 2000-08-22 — — US claimed
US-5866166-A BLEND OF MICROCRYSTALLINE CELLULOSE AND COMPRESSIBILITY ADJUVANT EDWARD MENDELL CO., INC. (US) 1999-02-02 — — US claimed
US-5858412-A FORMING AQUEOUS SLURRY OF MICROCRYSTALLINE CELLULOSE AND COMPRESSIBILITY AUGMENTING AGENT, DRYING TO FORM AGGLOMERATED PARTICLES, ADDING ACTIVE AGENT, INCORPORATING SUSTAINED-RELEASE CARRIER EDWARD MENDELL CO., INC. (US) 1999-01-12 — — US claimed
US-5741524-A CONTAINING MICROCRYSTALLINE CELLULOSE EDWARD MENDELL CO., INC. (US) 1998-04-21 — — US claimed
US-20250381158-A1 MAGNESIUM COMPOSITIONS AND USES THEREOF FOR NEUROLOGICAL DISORDERS NEUROCENTRIA INC (US) 2025-12-18 — — US disclosed
US-20250255843-A1 COMPOSITIONS COMPRISING CYSTEINE PRODRUGS AND METHODS USING THEREOF Nature's Fusions, LLC 2025-08-14 — — US disclosed
US-20240207209-A1 Threonate Compounds and Methods of Use Thereof NEUROCENTRIA, INC. 2024-06-27 — — US disclosed
US-20230355556-A1 Threonate Compounds and Methods of Use Thereof NEUROCENTRIA, INC. 2023-11-09 — — US disclosed
US-20230116091-A1 Threonate Compounds and Methods of Use Thereof NEUROCENTRIA, INC. 2023-04-13 — — US disclosed
US-6146429-A DEVELOPER, COUPLER, BEESWAX AND PROTEIN HYDROLYZATES OR AMINO ACIDS WELLA AKTIENGESELLSCHAFT (DE) 2000-11-14 — — US disclosed
US-6106579-A MIXTURE OF OXOCARBOXYLIC ACID AND REDUCING AGENT WELLA AKTIENGESELLSCHAFT (DE) 2000-08-22 — — US disclosed
US-6106865-A MIXTURE OF MICROCRYSTALLINE CELLULOSE, COMPRESSIBILITY, SILICA AND SURFACTANTS EDWARD MENDELL CO., INC. (US) 2000-08-22 — — US disclosed
US-5866166-A BLEND OF MICROCRYSTALLINE CELLULOSE AND COMPRESSIBILITY ADJUVANT EDWARD MENDELL CO., INC. (US) 1999-02-02 — — US disclosed
US-5858412-A FORMING AQUEOUS SLURRY OF MICROCRYSTALLINE CELLULOSE AND COMPRESSIBILITY AUGMENTING AGENT, DRYING TO FORM AGGLOMERATED PARTICLES, ADDING ACTIVE AGENT, INCORPORATING SUSTAINED-RELEASE CARRIER EDWARD MENDELL CO., INC. (US) 1999-01-12 — — US disclosed
US-5741524-A CONTAINING MICROCRYSTALLINE CELLULOSE EDWARD MENDELL CO., INC. (US) 1998-04-21 — — 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-20240207209-A1 Threonate Compounds and Methods of Use Thereof SLC18A2, SLC1A2, SLC18A3 CA2 1967/4885THRB 722/4885SLC7A11 48/4885
US-20230116091-A1 Threonate Compounds and Methods of Use Thereof SLC18A2, SLC1A2, SLC18A3 CA2 1967/4885THRB 722/4885SLC7A11 48/4885
US-20250381158-A1 MAGNESIUM COMPOSITIONS AND USES THEREOF FOR NEUROLOGICAL DISORDERS MAPT, PYGB, ACHE CA2 710/4885THRB 2393/4885SLC7A11 78/4885
US-20250255843-A1 COMPOSITIONS COMPRISING CYSTEINE PRODRUGS AND METHODS USING THEREOF AHCY, MGMT, CBS CA2 2537/4885THRB 3014/4885SLC7A11 21/4885
US-20230355556-A1 Threonate Compounds and Methods of Use Thereof SLC18A2, SLC1A2, SLC18A3 CA2 1967/4885THRB 722/4885SLC7A11 48/4885

“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.

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