SCHEMBL2456740

SCHEMBL2456740

CC(C)(C)c1ccc(C(C)(C)C)c(OS(C)(=O)=O)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.57
CA2 P00918 2/20 0.57
CA9 Q16790 2/20 0.57
ALDH1A1 P00352 6/20 0.46
NR1I2 O75469 1/20 0.42
ATM Q13315 1/20 0.40
NPC1 O15118 1/20 0.37
PLA2G1B P04054 1/20 0.37
NFKB1 P19838 1/20 0.37
CASP3 P42574 1/20 0.37
RAB9A P51151 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ATG4B Q9Y4P1 1/20 0.37
ACLY P53396 1/20 0.37
HSD11B1 P28845 1/20 0.36

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
SCHEMBL2458823 0.86 CA1 (0.57) CA1CA2CA9ALDH1A1NR1I2
SCHEMBL2990043 0.83 CA1 (0.50) CA1CA2CA9ALDH1A1NR1I2
SCHEMBL9958036 0.82 CA1 (0.62) CA1CA2CA9ALDH1A1NR1I2
SCHEMBL2990470 0.81 CA1 (0.49) CA1CA2CA9ALDH1A1NR1I2
SCHEMBL9958403 0.81 CA1 (0.65) CA1CA2CA9ALDH1A1NR1I2
SCHEMBL2986255 0.79 HSD11B1 (0.55) CA1CA2CA9ALDH1A1NR1I2
SCHEMBL5706328 0.78 CA1 (0.53) CA1CA2CA9ALDH1A1ATM
SCHEMBL2990599 0.78 HSD11B1 (0.50) CA1CA2CA9ALDH1A1NR1I2
SCHEMBL15453941 0.77 CES2 (0.43) CA1CA2CA9ALDH1A1HPGD
SCHEMBL28857734 0.77 CA1 (0.44) CA1CA2CA9ALDH1A1NR1I2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101646648-B Tert-butylphenyl sulfonate compound, nonaqueous electrolyte solution for lithium secondary battery using same, and lithium secondary battery using same UBE IND JP 2014-07-16 CN claimed
US-8546599-B2 Tert-butylphenyl sulfonate compound, nonaqueous electrolyte solution for lithium secondary battery using the same, and lithium secondary battery using the same UBE INDUSTRIES, LTD. (JP) 2013-10-01 US claimed
US-20100055576-A1 tert-BUTYLPHENYL SULFONATE COMPOUND, NONAQUEOUS ELECTROLYTE SOLUTION FOR LITHIUM SECONDARY BATTERY USING THE SAME, AND LITHIUM SECONDARY BATTERY USING THE SAME MU IONIC SOLUTIONS CORPORATION (JP) 2010-03-04 US claimed
CN-101646648-A Tert-butylphenyl sulfonate compound, nonaqueous electrolyte solution for lithium secondary battery using same, and lithium secondary battery using same UBE IND JP 2010-02-10 CN claimed
EP-2133327-A1 tert-BUTYLPHENYL SULFONATE COMPOUND, NONAQUEOUS ELECTROLYTE SOLUTION FOR LITHIUM SECONDARY BATTERY USING THE SAME, AND LITHIUM SECONDARY BATTERY USING THE SAME Ube Industries, Ltd. (JP) 2009-12-16 EP claimed
CN-102576904-B Lithium secondary battery, and non-aqueous electrolytic solution for use in the lithium secondary battery UBE INDUSTRIES 2015-07-15 CN disclosed
EP-2490291-B1 LITHIUM SECONDARY BATTERY, AND NON-AQUEOUS ELECTROLYTIC SOLUTION FOR USE IN THE LITHIUM SECONDARY BATTERY UBE INDUSTRIES (JP) 2014-12-03 EP disclosed
CN-101646648-B Tert-butylphenyl sulfonate compound, nonaqueous electrolyte solution for lithium secondary battery using same, and lithium secondary battery using same UBE IND JP 2014-07-16 CN disclosed
US-20140011097-A1 TERT-BUTYLPHENYL SULFONATE COMPOUND, NONAQUEOUS ELECTROLYTE SOLUTION FOR LITHIUM SECONDARY BATTERY USING THE SAME, AND LITHIUM SECONDARY BATTERY USING THE SAME UBE INDUSTRIES, LTD. (JP) 2014-01-09 US disclosed
US-8546599-B2 Tert-butylphenyl sulfonate compound, nonaqueous electrolyte solution for lithium secondary battery using the same, and lithium secondary battery using the same UBE INDUSTRIES, LTD. (JP) 2013-10-01 US disclosed
CN-101795998-B Method for producing aromatic compound UBE INDUSTRIES 2013-04-10 CN disclosed
US-8283508-B2 Method for producing aromatic compound UBE INDUSTRIES, LTD. (JP) 2012-10-09 US disclosed
EP-2490291-A1 LITHIUM SECONDARY BATTERY, AND NON-AQUEOUS ELECTROLYTIC SOLUTION FOR USE IN THE LITHIUM SECONDARY BATTERY Ube Industries, Ltd. (JP) 2012-08-22 EP disclosed
US-20120183846-A1 LITHIUM SECONDARY BATTERY, AND NON-AQUEOUS ELECTROLYTIC SOLUTION FOR USE IN THE LITHIUM SECONDARY BATTERY UBE INDUSTRIES, LTD. (JP) 2012-07-19 US disclosed
US-20110230694-A1 METHOD FOR PRODUCING AROMATIC COMPOUND UBE INDUSTRIES, LTD. (JP) 2011-09-22 US disclosed
CN-101795998-A Method for producing aromatic compound UBE INDUSTRIES 2010-08-04 CN disclosed
US-20100055576-A1 tert-BUTYLPHENYL SULFONATE COMPOUND, NONAQUEOUS ELECTROLYTE SOLUTION FOR LITHIUM SECONDARY BATTERY USING THE SAME, AND LITHIUM SECONDARY BATTERY USING THE SAME MU IONIC SOLUTIONS CORPORATION (JP) 2010-03-04 US disclosed
CN-101646648-A Tert-butylphenyl sulfonate compound, nonaqueous electrolyte solution for lithium secondary battery using same, and lithium secondary battery using same UBE IND JP 2010-02-10 CN disclosed
EP-2133327-A1 tert-BUTYLPHENYL SULFONATE COMPOUND, NONAQUEOUS ELECTROLYTE SOLUTION FOR LITHIUM SECONDARY BATTERY USING THE SAME, AND LITHIUM SECONDARY BATTERY USING THE SAME Ube Industries, Ltd. (JP) 2009-12-16 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-20100055576-A1 tert-BUTYLPHENYL SULFONATE COMPOUND, NONAQUEOUS ELECTROLYTE SOLUTION FOR LITHIUM SECONDARY BATTERY USING THE SAME, AND LITHIUM SECONDARY BATTERY USING THE SAME TERT, TST, TES CA1 3264/4885CA2 2362/4885CA9 1253/4885

“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.