SCHEMBL927005

SCHEMBL927005

CC(=O)NCCS(=O)(=O)[O-].[Na+]

nearest known ligand 0.49

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
KDM4E B2RXH2 2/20 0.46
MAPK1 P28482 1/20 0.46
HIF1A Q16665 1/20 0.46
BBOX1 O75936 1/20 0.45
TSHR P16473 1/20 0.43
ALDH1A1 P00352 1/20 0.41
EPHX2 P34913 1/20 0.39
PAOX Q6QHF9 3/20 0.39
LOX P28300 1/20 0.38
ADRA1A P35348 1/20 0.38
MAPT P10636 1/20 0.37
ALOX15 P16050 1/20 0.37
TXNRD1 Q16881 1/20 0.35

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 SCHEMBL31512211 0.98 KDM4E (0.44) KDM4EMAPK1HIF1ABBOX1TSHR
SCHEMBL2590649 0.95 KDM4E (0.46) KDM4EMAPK1HIF1ABBOX1TSHR
SCHEMBL31512217 0.95 KDM4E (0.46) KDM4EMAPK1HIF1ABBOX1TSHR
Lithium Ion SCHEMBL11350422 0.95 KDM4E (0.46) KDM4EMAPK1HIF1ABBOX1TSHR
Zinc Ion SCHEMBL927086 0.95 KDM4E (0.46) KDM4EMAPK1HIF1ABBOX1TSHR
SCHEMBL1804097 0.95 KDM4E (0.46) KDM4EMAPK1HIF1ABBOX1TSHR
Water SCHEMBL31512210 0.93 KDM4E (0.44) KDM4EMAPK1HIF1ABBOX1TSHR
Water SCHEMBL22263593 0.93 KDM4E (0.44) KDM4EMAPK1HIF1ABBOX1TSHR
Water SCHEMBL31512212 0.93 KDM4E (0.44) KDM4EMAPK1HIF1ABBOX1TSHR
Water SCHEMBL31512215 0.93 KDM4E (0.44) KDM4EMAPK1HIF1ABBOX1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119751315-A Method for preparing acetyltaurine calcium salt and other acetyltaurine salts 苏州满元生物科技有限公司 2025-04-04 CN disclosed
CN-119431198-A Preparation method of magnesium acetyltaurate 苏州满元生物科技有限公司 2025-02-14 CN disclosed
CN-112174960-B Toll-like receptor modulating 4, 6-diamino-pyrido [3,2-D ] pyrimidine compounds 吉利德科学公司 2023-10-10 CN disclosed
CN-115942870-A Composition with virucidal and/or antiviral activity 西姆莱斯股份公司 2023-04-07 CN disclosed
CN-115305215-A Novel bacterial starter of the genus lactobacillus 西姆莱斯股份公司 2022-11-08 CN disclosed
US-20150352072-A1 ZINC N-ACETYL TAURINATE FOR THE TREATMENT OF PROSTATE CANCER TRI INOV (FR) 2015-12-10 US disclosed
US-9029419-B2 Use of zinc N-acetyltaurinate TRI-INOV (FR) 2015-05-12 US disclosed
US-8674135-B2 Functionalized ionic liquids, and methods of use thereof UNIVERSITY OF SOUTH ALABAMA (US) 2014-03-18 US disclosed
US-20140051754-A1 ZINC N-ACETYL TAURINATE FOR THE TREATMENT OF PROSTATE CANCER TRI-INOV (FR) 2014-02-20 US disclosed
US-20110003891-A1 NOVEL USE OF ZINC N-ACETYLTAURINATE TRI-INOV (FR) 2011-01-06 US disclosed
EP-2243539-A2 Functionalized ionic liquids, and methods of use thereof UNIVERSITY OF SOUTH ALABAMA (US) 2010-10-27 EP disclosed
US-20100228035-A1 Functionalized Ionic Liquids, and Methods of Use Thereof UNIVERSITY OF SOUTH ALABAMA (US) 2010-09-09 US disclosed
US-7744838-B2 Functionalized ionic liquids, and methods of use thereof UNIVERSITY OF SOUTH ALABAMA (US) 2010-06-29 US disclosed
US-20100152465-A1 Functionalized Ionic Liquids, and Methods of Use Thereof UNIVERSITY OF SOUTH ALABAMA (US) 2010-06-17 US disclosed
US-20080112866-A1 Functionalized ionic liquids, and methods of use thereof UNIVERSITY OF SOUTH ALABAMA (US) 2008-05-15 US disclosed
EP-1556390-A4 FUNCTIONALIZED IONIC LIQUIDS, AND METHODS OF USE THEREOF UNIV SOUTH ALABAMA (US) 2007-12-26 EP disclosed
US-7208605-B2 Functionalized ionic liquids, and methods of use thereof UNIVERSITY OF SOUTH ALABAMA (US) 2007-04-24 US disclosed
EP-1556390-A2 FUNCTIONALIZED IONIC LIQUIDS, AND METHODS OF USE THEREOF University Of South Alabama (US) 2005-07-27 EP disclosed
US-20040035293-A1 Functionalized ionic liquids, and methods of use thereof UNIVERSITY OF SOUTH ALABAMA 2004-02-26 US disclosed
WO-2003086605-A2 FUNCTIONALIZED IONIC LIQUIDS, AND METHODS OF USE THEREOF UNIVERSITY OF SOUTH ALABAMA (US) 2003-10-23 WO 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 (4 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-20100228035-A1 Functionalized Ionic Liquids, and Methods of Use Thereof TST, SCLY, MPST KDM4E 4543/4885MAPK1 3348/4885HIF1A 4658/4885
US-20100152465-A1 Functionalized Ionic Liquids, and Methods of Use Thereof TST, SCLY, MPST KDM4E 4543/4885MAPK1 3348/4885HIF1A 4658/4885
US-20040035293-A1 Functionalized ionic liquids, and methods of use thereof TST, SCLY, MPST KDM4E 4543/4885MAPK1 3348/4885HIF1A 4658/4885
US-20080112866-A1 Functionalized ionic liquids, and methods of use thereof TST, SCLY, MPST KDM4E 4543/4885MAPK1 3348/4885HIF1A 4658/4885

“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.