SCHEMBL9950641

SCHEMBL9950641

O=S(=O)([O-])c1cc(Cl)cc(S(=O)(=O)[O-])c1Br.[Na+].[Na+]

nearest known ligand 0.38

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 1/20 0.35
CA2 known ✓ P00918 1/20 0.35
PTGS1 known ✓ P23219 1/20 0.32
P2RY4 known ✓ P51582 4/20 0.32
P2RY2 known ✓ P41231 1/20 0.32
P2RY12 known ✓ Q9H244 1/20 0.32
FTO Q9C0B1 2/20 0.38
F2 P00734 2/20 0.34
PRSS1 P07477 2/20 0.34
PRSS2 P07478 2/20 0.34
PRSS3 P35030 2/20 0.34
SLC10A1 Q14973 1/20 0.33
SLCO1B1 Q9Y6L6 1/20 0.33
TSHR P16473 2/20 0.33
MAPK1 P28482 2/20 0.33
HTT P42858 1/20 0.33
PKLR P30613 2/20 0.33
PTPN1 P18031 1/20 0.33
PGAM1 P18669 1/20 0.33
DUSP5 Q16690 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
SCHEMBL9951727 0.83 CA1 (0.39) FTOCA1CA2F2PRSS1
SCHEMBL1993983 0.81 CA1 (0.38) FTOCA1CA2F2PRSS1
SCHEMBL10674447 0.76 ALDH1A1 (0.46) CA1CA2F2PRSS1PRSS2
SCHEMBL11661547 0.76 DUSP5 (0.39) FTOCA1CA2F2PRSS1
SCHEMBL10133590 0.74 CA1 (0.41) CA1CA2F2PRSS1PRSS2
SCHEMBL9950644 0.73 CA1 (0.39) CA1CA2F2PRSS1PRSS2
SCHEMBL13277814 0.73 FTO (0.41) FTOSLC10A1SLCO1B1PKLRDUSP5
SCHEMBL9449375 0.72 CA1 (0.63) CA1CA2F2PRSS1PRSS2
SCHEMBL29392002 0.72 CA1 (0.63) CA1CA2F2PRSS1PRSS2
SCHEMBL1648601 0.72 CA1 (0.63) CA1CA2F2PRSS1PRSS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120164558-A1 BIPHENYLTETRASULFONIC ACID COMPOUND, METHOD FOR PRODUCING SAME, POLYMER AND POLYMER ELECTROLYTE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-06-28 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 (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-20120164558-A1 BIPHENYLTETRASULFONIC ACID COMPOUND, METHOD FOR PRODUCING SAME, POLYMER AND POLYMER ELECTROLYTE ARSA, PDXK, AIPL1 CA1 1594/4885CA2 2317/4885PTGS1 3295/4885

“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.