SCHEMBL2906552

SCHEMBL2906552

CCCCCCCCCCCCOS(=O)(=O)OS(=O)(=O)[O-].[Na+]

nearest known ligand 0.71

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
CA1 known ✓ P00915 10/20 0.52
CA2 known ✓ P00918 10/20 0.52
CA12 known ✓ O43570 3/20 0.52
CA4 known ✓ P22748 2/20 0.52
FGF1 known ✓ P05230 3/20 0.36
RECQL P46063 2/20 0.71
TSHR P16473 2/20 0.71
GLA P06280 1/20 0.71
HPGD P15428 1/20 0.71
MAPK1 P28482 1/20 0.71
EPHX2 P34913 1/20 0.71
BLM P54132 1/20 0.71
CA9 Q16790 8/20 0.52
CA7 P43166 3/20 0.52
CA14 Q9ULX7 3/20 0.52
CA3 P07451 2/20 0.52
CA6 P23280 2/20 0.52
CA5A P35218 2/20 0.52
CA5B Q9Y2D0 2/20 0.52
FUT7 Q11130 1/20 0.39

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
SCHEMBL22163974 0.86 RECQL (0.88) RECQLTSHRGLAHPGDMAPK1
Sulfuric Acid SCHEMBL11554401 0.86 RECQL (0.73) RECQLTSHRGLAHPGDMAPK1
Sulfuric Acid SCHEMBL20425441 0.86 RECQL (0.73) RECQLTSHRGLAHPGDMAPK1
Sulfuric Acid SCHEMBL27403725 0.86 RECQL (0.73) RECQLTSHRGLAHPGDMAPK1
Sulfuric Acid SCHEMBL570778 0.86 RECQL (0.73) RECQLTSHRGLAHPGDMAPK1
Sulfuric Acid SCHEMBL23387499 0.86 RECQL (0.73) RECQLTSHRGLAHPGDMAPK1
Sulfuric Acid SCHEMBL10384430 0.86 RECQL (0.73) RECQLTSHRGLAHPGDMAPK1
Sulfuric Acid SCHEMBL11459439 0.86 RECQL (0.73) RECQLTSHRGLAHPGDMAPK1
Sulfuric Acid SCHEMBL27654294 0.86 RECQL (0.73) RECQLTSHRGLAHPGDMAPK1
Sulfuric Acid SCHEMBL27640726 0.86 RECQL (0.73) RECQLTSHRGLAHPGDMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115386063-A Lignin-based waterborne polyurethane and preparation method thereof 广东拓普合成科技股份有限公司 2022-11-25 CN claimed
CN-115322311-A Lignin-based acrylic resin and preparation method thereof 广东睿鹏材料科学有限公司 2022-11-11 CN claimed
US-20230329992-A1 PROCESS FOR PRODUCING A BIO-BASED SURFACTANT UNIV DUBLIN (IE) 2023-10-19 US disclosed
CN-115386063-A Lignin-based waterborne polyurethane and preparation method thereof 广东拓普合成科技股份有限公司 2022-11-25 CN disclosed
CN-115322311-A Lignin-based acrylic resin and preparation method thereof 广东睿鹏材料科学有限公司 2022-11-11 CN disclosed
US-20210353517-A1 PROCESS FOR PRODUCING A BIO-BASED SURFACTANT UNIVERSITY COLLEGE DUBLIN (IE) 2021-11-18 US disclosed
EP-3853371-A1 A PROCESS FOR PRODUCING A BIO-BASED SURFACTANT University College Dublin (IE) 2021-07-28 EP disclosed
CN-113039279-A Method for producing bio-based surfactants 都柏林大学 2021-06-25 CN disclosed
WO-2020058444-A1 A PROCESS FOR PRODUCING A BIO-BASED SURFACTANT UNIVERSITY COLLEGE DUBLIN (IE) 2020-03-26 WO disclosed
US-9000190-B2 Amide compound or salt thereof, biofilm inhibitor, biofilm remover and disinfectant containing the same UNIVERSITY OF TOKYO (JP) 2015-04-07 US disclosed
EP-2077260-B1 AMIDE COMPOUND OR SALT THEREOF, AND BIOFILM FORMATION INHIBITOR, BIOFILM REMOVER AND BACTERICIDE EACH USING THE AMIDE COMPOUND OR SALT THEREOF UNIV TOKYO (JP) 2015-02-18 EP disclosed
US-8258307-B2 Amide compound or salt thereof, and biofilm inhibitor, biofilm remover and disinfectant containing the same UNIVERSITY OF TOKYO (JP) 2012-09-04 US disclosed
US-20100256369-A1 QUORUM SENSING INHIBITOR THE UNIVERSITY OF TOKYO (JP) 2010-10-07 US disclosed
EP-2215910-A1 QUORUM SENSING INHIBITOR The University of Tokyo (JP) 2010-08-11 EP disclosed
US-20100080908-A1 INK SET AND METHOD FOR FORMING IMAGE FUJIFILM CORPORATION (JP) 2010-04-01 US disclosed
EP-2169017-A1 Ink set and method for forming image Fujifilm Corporation (JP) 2010-03-31 EP disclosed
EP-2077260-A1 AMIDE COMPOUND OR SALT THEREOF, AND BIOFILM FORMATION INHIBITOR, BIOFILM REMOVER AND BACTERICIDE EACH USING THE AMIDE COMPOUND OR SALT THEREOF The University of Tokyo (JP) 2009-07-08 EP disclosed
EP-2077109-A1 AMIDE COMPOUND, SALT THEREOF, AND BIOFILM REMOVER USING THEM The University of Tokyo (JP) 2009-07-08 EP disclosed
US-20090068120-A1 AMIDE COMPOUND OR SALT THEREOF, AND BIOFILM INHIBITOR, BIOFILM REMOVER AND DISINFECTANT CONTAINING THE SAME OTSUKA CHEMICAL CO., LTD. (JP) 2009-03-12 US disclosed
US-20080241081-A1 AMIDE COMPOUND OR SALT THEREOF, AND BIOFILM REMOVER CONTAINING THE SAME UNIVERSITY OF TOKYO (JP) 2008-10-02 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 (3 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-20090068120-A1 AMIDE COMPOUND OR SALT THEREOF, AND BIOFILM INHIBITOR, BIOFILM REMOVER AND DISINFECTANT CONTAINING THE SAME Q6ZSR9, F12, H1-0 CA1 1514/4885CA2 933/4885CA12 1869/4885
US-20080241081-A1 AMIDE COMPOUND OR SALT THEREOF, AND BIOFILM REMOVER CONTAINING THE SAME H1-0, H1-10, H1-4 CA1 365/4885CA2 83/4885CA12 176/4885
US-20100256369-A1 QUORUM SENSING INHIBITOR BLVRB, API5, Q6ZSR9 CA1 3450/4885CA2 2173/4885CA12 4265/4885

“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.