SCHEMBL123320

SCHEMBL123320

CCCCOCCOCCOCCOCCCCS(=O)(=O)[O-].[Na+]

nearest known ligand 0.47

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
THRB known ✓ P10828 1/20 0.41
CA1 known ✓ P00915 7/20 0.38
CA2 known ✓ P00918 7/20 0.38
CA12 known ✓ O43570 1/20 0.35
CA4 known ✓ P22748 1/20 0.35
TSHR P16473 5/20 0.47
RECQL P46063 2/20 0.47
MAPK1 P28482 2/20 0.47
EPHX2 P34913 2/20 0.47
GLA P06280 1/20 0.47
HPGD P15428 1/20 0.47
BLM P54132 1/20 0.47
CYP3A4 P08684 1/20 0.44
MEN1 O00255 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPT P10636 1/20 0.41
ALDH1A1 P00352 2/20 0.40
GMNN O75496 1/20 0.40
LMNA P02545 1/20 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
SCHEMBL126016 1.00 TSHR (0.47) TSHRRECQLMAPK1EPHX2GLA
SCHEMBL28448153 0.98 TSHR (0.48) TSHRRECQLMAPK1EPHX2GLA
SCHEMBL28091240 0.96 RECQL (0.53) TSHRRECQLMAPK1EPHX2GLA
SCHEMBL699887 0.94 RECQL (0.55) TSHRRECQLMAPK1EPHX2GLA
SCHEMBL122978 0.94 RECQL (0.55) TSHRRECQLMAPK1EPHX2GLA
SCHEMBL124817 0.94 RECQL (0.55) TSHRRECQLMAPK1EPHX2GLA
SCHEMBL28077320 0.92 RECQL (0.57) TSHRRECQLMAPK1EPHX2GLA
SCHEMBL6730611 0.92 TSHR (0.45) TSHRRECQLMAPK1EPHX2GLA
SCHEMBL31690464 0.88 TSHR (0.45) TSHRRECQLMAPK1EPHX2GLA
SCHEMBL1009169 0.87 TSHR (0.50) TSHRRECQLMAPK1EPHX2GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9032876-B2 Lithographic printing plate precursor, lithographic printing plate platemaking method, and polymerizable monomer FUJIFILM CORPORATION (JP) 2015-05-19 US disclosed
EP-2343195-B1 LITHOGRAPHIC PRINTING ORIGINAL PLATE, METHOD FOR PRODUCING LITHOGRAPHIC PRINTING PLATE, AND POLYMERIZABLE MONOMER FUJIFILM CORP (JP) 2014-01-29 EP disclosed
US-8304171-B2 Plate making method of lithographic printing plate precursor FUJIFILM CORPORATION (JP) 2012-11-06 US disclosed
EP-2100731-B1 Lithographic printing plate precursor and method of lithographic printing FUJIFILM CORP (JP) 2012-06-20 EP disclosed
US-8187791-B2 Lithographic printing plate precursor and plate making method thereof FUJIFILM CORPORATION (JP) 2012-05-29 US disclosed
US-8142983-B2 Lithographic printing plate precursor and method of lithographic printing FUJIFILM CORPORATION (JP) 2012-03-27 US disclosed
EP-2082875-B1 Lithographic printing plate precursor and plate making method using the precursor FUJIFILM CORP (JP) 2012-03-07 EP disclosed
EP-2165829-B1 Lithographic printing plate precursor and plate making method thereof FUJIFILM CORP (JP) 2011-11-16 EP disclosed
WO-2011130819-A1 METHOD FOR ENSURING AND MONITORING ELECTROLYZER SAFETY AND PERFORMANCES RECHERCHE 2000 INC. (CA) 2011-10-27 WO disclosed
US-20110174179-A1 LITHOGRAPHIC PRINTING PLATE PRECURSOR, LITHOGRAPHIC PRINTING PLATE PLATEMAKING METHOD, AND POLYMERIZABLE MONOMER FUJIFILM CORPORATION (JP) 2011-07-21 US disclosed
EP-2343195-A1 LITHOGRAPHIC PRINTING ORIGINAL PLATE, METHOD FOR PRODUCING LITHOGRAPHIC PRINTING PLATE, AND POLYMERIZABLE MONOMER FUJIFILM Corporation (JP) 2011-07-13 EP disclosed
US-20100075260-A1 PLATE MAKING METHOD OF LITHOGRAPHIC PRINTING PLATE PRECURSOR FUJIFILM CORPORATION (JP) 2010-03-25 US disclosed
US-20100075252-A1 LITHOGRAPHIC PRINTING PLATE PRECURSOR AND PLATE MAKING METHOD THEREOF FUJIFILM CORPORATION (JP) 2010-03-25 US disclosed
US-20100055607-A1 LITHOGRAPHIC PRINTING PLATE PRECURSOR AND PLATE MAKING METHOD THEREOF FUJIFILM CORPORATION (JP) 2010-03-04 US disclosed
US-20090233229-A1 LITHOGRAPHIC PRINTING PLATE PRECURSOR AND METHOD OF LITHOGRAPHIC PRINTING FUJIFILM CORPORATION (JP) 2009-09-17 US disclosed
US-20090233222-A1 LITHOGRAPHIC PRINTING PLATE PRECURSOR FUJIFILM CORPORATION (JP) 2009-09-17 US disclosed
EP-2100731-A2 Lithographic printing plate precursor and method of lithographic printing Fujifilm Corporation (JP) 2009-09-16 EP disclosed
EP-2082875-A1 Lithographic printing plate precursor and plate making method thereof FUJIFILM Corporation (JP) 2009-07-29 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 (1 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-20110174179-A1 LITHOGRAPHIC PRINTING PLATE PRECURSOR, LITHOGRAPHIC PRINTING PLATE PLATEMAKING METHOD, AND POLYMERIZABLE MONOMER SORT1, ELOVL6, SCD5 THRB 4640/4885CA1 3929/4885CA2 4231/4885

“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.