SCHEMBL2986382

SCHEMBL2986382

CC(C)(C)c1ccccc1OS(=O)(=O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.54
HSD17B3 P37058 1/20 0.54
ALDH1A1 P00352 5/20 0.53
METAP2 P50579 1/20 0.46
METAP1 P53582 1/20 0.46
MAPT P10636 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
TDP1 Q9NUW8 2/20 0.44
ATM Q13315 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HTR6 P50406 2/20 0.43
HTR1A P08908 2/20 0.41
HTR7 P34969 2/20 0.41
KDM4E B2RXH2 2/20 0.41
GAA P10253 1/20 0.41
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
RXRG P48443 1/20 0.41
DRD2 P14416 1/20 0.41

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
SCHEMBL6242213 0.89 ALDH1A1 (0.53) HSD11B1HSD17B3ALDH1A1METAP2METAP1
SCHEMBL2983828 0.88 HSD11B1 (0.54) HSD11B1HSD17B3ALDH1A1MAPTMEN1
SCHEMBL10179979 0.83 ALDH1A1 (0.47) HSD11B1HSD17B3ALDH1A1METAP2METAP1
SCHEMBL2986255 0.82 HSD11B1 (0.55) HSD11B1HSD17B3ALDH1A1METAP2METAP1
SCHEMBL2456717 0.82 HSD11B1 (0.55) HSD11B1HSD17B3ALDH1A1METAP2METAP1
SCHEMBL2986257 0.82 TDP1 (0.43) HSD11B1HSD17B3ALDH1A1METAP2METAP1
SCHEMBL15453622 0.82 ALDH1A1 (0.53) HSD11B1HSD17B3ALDH1A1METAP2METAP1
SCHEMBL31272384 0.80 ALDH1A1 (0.68) HSD11B1HSD17B3ALDH1A1METAP2METAP1
SCHEMBL2987013 0.79 ALDH1A1 (0.46) HSD11B1HSD17B3ALDH1A1MAPTTDP1
SCHEMBL1997201 0.79 TDP1 (0.44) HSD11B1HSD17B3ALDH1A1TDP1ATM

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 7 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
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 3200/4885ALDH1A1 4091/4885

“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.