SCHEMBL6889829

SCHEMBL6889829

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

nearest known ligand 0.32

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 7)

geneUniProtsupporting neighboursconfidence
ALOX5 known ✓ P09917 1/20 0.32
TRPA1 O75762 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL9980872 0.78 TRPA1 (0.36) TRPA1ALDH1A1CYP3A4HPGDALOX15
SCHEMBL484284 0.74
SCHEMBL8782174 0.74
SCHEMBL7167505 0.71 TRPA1 (0.31) TRPA1ALDH1A1CYP3A4HPGDALOX15
SCHEMBL8469463 0.70
SCHEMBL5251799 0.69
SCHEMBL6129983 0.65 RECQL (0.39) HPGD
SCHEMBL9860953 0.65 CA12 (0.31) ALDH1A1
SCHEMBL62283 0.64
SCHEMBL131938 0.64 RECQL (0.37) HPGD

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020015612-A1 FUCOSYLATED CHONDROITIN SULFATE OLIGOSACCHARIDE, PREPARATION METHOD THEREFOR, COMPOSITION THEREOF AND USE THEREOF 北京大学 2020-01-23 WO claimed
US-10759822-B2 Brain-targeting prodrug for AMPA receptor synergist, and pharmaceutical applications thereof INSTITUTE OF PHARMACOLOGY AND TOXICOLOGY ACADEMY OF MILITARY MEDICAL SCIENCES P.L.A. CHINA (CN) 2020-09-01 US disclosed
US-20190077821-A1 Brain-Targeting Prodrug for AMPA Receptor Synergist, and Pharmaceutical Applications Thereof INSTITUTE OF PHARMACOLOGY AND TOXICOLOGY ACADEMY OF MILITARY MEDICAL SCIENCES P.L.A. CHINA (CN) 2019-03-14 US disclosed
EP-3444240-A1 BRAIN-TARGETING PRODRUG FOR AMPA RECEPTOR SYNERGIST, AND PHARMACEUTICAL APPLICATIONS Institute of Pharmacology and Toxicology Academy of Military Medical Sciences P.L.A. China (CN) 2019-02-20 EP disclosed
US-6818117-B2 ELECTROLYSIS OXIDATION CALIFORNIA INSTITUTE OF TECHNOLOGY 2004-11-16 US disclosed
US-6730493-B1 RECOGNIZING AND DETERMINING THE EXTENT OF THE DAMAGE TO HAIR OR WOOL, FOR EXAMPLE; INCLUDES ENZYMATIC AND/OR CHEMICAL TREATMENT FOR PROTEOLYTIC OR HYDROLYTIC DEGRADATION OF THE SAMPLE, PHYSICAL MEASUREMENT OF TURBIDITY; KITS WELLA AKTIENGESELLSCHAFT (DE) 2004-05-04 US disclosed
US-20030024823-A1 Electrochemically directed self-assembly of monolayers on metal CALIFORNIA INSTITUTE OF TECHNOLOGY 2003-02-06 US disclosed
WO-2002072282-A1 ELECTROCHEMICALLY DIRECTED SELF-ASSEMBLY OF MONOLAYERS ON METAL CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2002-09-19 WO disclosed
EP-0109955-B1 RUBBER/METAL COMPOSITES MONSANTO EUROPE S.A./N.V. (BE) 1988-01-20 EP disclosed
US-4704334-A ORGANIC THIOSULFATE ADHESION PROMOTERS MONSANTO EUROPE, S.A. (BE) 1987-11-03 US disclosed
US-4532080-A Cobalt or nickel salt of organic thiosulfate ester MONSANTO EUROPE, S.A. (BE) 1985-07-30 US disclosed
EP-0109955-A2 Rubber/metal composites MONSANTO EUROPE S.A./N.V. (BE) 1984-05-30 EP 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-10759822-B2 Brain-targeting prodrug for AMPA receptor synergist, and pharmaceutical applications thereof GRM3, GRM1, GRM2 ALOX5 2107/4885TRPA1 1494/4885ALDH1A1 933/4885
US-20190077821-A1 Brain-Targeting Prodrug for AMPA Receptor Synergist, and Pharmaceutical Applications Thereof GRM3, GRM1, GRM2 ALOX5 2107/4885TRPA1 1494/4885ALDH1A1 933/4885

“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.