SCHEMBL2986255

SCHEMBL2986255

CC(C)(C)c1ccc(C(C)(C)C)c(OS(=O)(=O)c2ccccc2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.55
HSD17B3 P37058 1/20 0.55
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
ALDH1A1 P00352 8/20 0.43
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
PLA2G1B P04054 1/20 0.39
NFKB1 P19838 1/20 0.39
CASP3 P42574 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
ATG4B Q9Y4P1 1/20 0.39
ENPP1 P22413 1/20 0.39
MAPT P10636 5/20 0.38

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
SCHEMBL2456717 0.88 HSD11B1 (0.55) HSD11B1HSD17B3CA1CA2CA9
SCHEMBL2990599 0.87 HSD11B1 (0.50) HSD11B1HSD17B3CA1CA2CA9
SCHEMBL2986382 0.82 HSD11B1 (0.54) HSD11B1HSD17B3ALDH1A1L3MBTL1MAPT
SCHEMBL2456740 0.79 CA1 (0.57) HSD11B1HSD17B3CA1CA2CA9
SCHEMBL2990470 0.78 CA1 (0.49) HSD11B1HSD17B3CA1CA2CA9
SCHEMBL2990043 0.76 CA1 (0.50) HSD11B1HSD17B3CA1CA2CA9
SCHEMBL2986520 0.76 TDP1 (0.61) HSD11B1HSD17B3CA1CA2CA9
SCHEMBL2978101 0.75 ALDH1A1 (0.51) HSD11B1HSD17B3ALDH1A1NPC1RAB9A
SCHEMBL2459913 0.75 HSD11B1 (0.50) HSD11B1HSD17B3CA1CA2CA9
Hydrogen Sulfide SCHEMBL15619066 0.74 TDP1 (0.59) HSD11B1HSD17B3CA1CA2CA9

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 6 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 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
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 HSD11B1 2744/4885HSD17B3 3200/4885CA1 3264/4885

“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.