SCHEMBL14989014

SCHEMBL14989014

CCC(S)CS(=O)(=O)[O-].[Na+]

nearest known ligand 0.60

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 5)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
ALOX15 P16050 1/20 0.35
ENPEP Q07075 1/20 0.31
SLC22A6 Q4U2R8 1/20 0.31

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
2,3-Dimercapto-1-Propanesulfonic Acid SCHEMBL27233595 0.77 SLC22A6 (0.54) KDM4EMAPTALOX15ENPEPSLC22A6
2,3-Dimercapto-1-Propanesulfonic Acid SCHEMBL164318 0.77 SLC22A6 (0.54) KDM4EMAPTALOX15ENPEPSLC22A6
SCHEMBL28529173 0.76 ENPEP (0.47) KDM4EMAPTALOX15ENPEP
2,3-Dimercapto-1-Propanesulfonic Acid SCHEMBL1200081 0.75 SLC22A6 (0.52) KDM4EMAPTALOX15ENPEPSLC22A6
SCHEMBL125767 0.74 KDM4E (0.32) KDM4EMAPTALOX15
SCHEMBL1578142 0.74
SCHEMBL31634272 0.73 ENPEP (0.50) KDM4EMAPTALOX15ENPEP
SCHEMBL27426173 0.73
SCHEMBL5608940 0.72
SCHEMBL18631090 0.72 KDM4E (0.31) KDM4EMAPTALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160178574-A1 TEST STRIP AND METHOD TO DETERMINE TEST STRIP COMPATIBILITY CILAG GMBH INTERNATIONAL (CH) 2016-06-23 US claimed
WO-2016097054-A2 TEST STRIP AND METHOD TO DETERMINE TEST STRIP COMPATIBILITY CILAG GMBH INTERNATIONAL (CH) 2016-06-23 WO claimed
US-20160178574-A1 TEST STRIP AND METHOD TO DETERMINE TEST STRIP COMPATIBILITY CILAG GMBH INTERNATIONAL (CH) 2016-06-23 US disclosed
WO-2016097054-A2 TEST STRIP AND METHOD TO DETERMINE TEST STRIP COMPATIBILITY CILAG GMBH INTERNATIONAL (CH) 2016-06-23 WO disclosed
EP-2599799-B1 SINGLE-LAYER FILM AND HYDROPHILIC MATERIAL COMPRISING SAME MITSUI CHEMICALS INC (JP) 2016-05-25 EP disclosed
US-9034464-B2 Single layer film and hydrophilic material comprising the same MITSUI CHEMICALS, INC. (JP) 2015-05-19 US disclosed
US-20130156959-A1 SINGLE-LAYER FILM AND HYDROPHILIC MATERIAL COMPRISING THE SAME MITSUI CHEMICALS, INC. (JP) 2013-06-20 US disclosed
EP-2599799-A1 SINGLE-LAYER FILM AND HYDROPHILIC MATERIAL COMPRISING SAME Mitsui Chemicals, Inc. (JP) 2013-06-05 EP disclosed