SCHEMBL2989282

SCHEMBL2989282

CCS(=O)(=O)Oc1c(C(C)(C)C)cccc1C(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.39
NLRP3 Q96P20 1/20 0.36
ALDH1A1 P00352 4/20 0.36
GABRA1 P14867 1/20 0.34
GABRB2 P47870 1/20 0.34
ALPL P05186 1/20 0.34
ALPI P09923 1/20 0.34
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
NR1H4 Q96RI1 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL15453939 0.83 CTSS (0.38) ALPLALPIGAA
SCHEMBL2454892 0.80 ALDH1A1 (0.47) CA2ALDH1A1GABRA1GABRB2TSHR
SCHEMBL2977757 0.79 ALDH1A1 (0.42) ALDH1A1TSHRTDP1GAA
SCHEMBL17452140 0.78 CA2 (0.45) CA2NLRP3ALDH1A1GABRA1GABRB2
SCHEMBL2460558 0.76 HSD11B1 (0.39) CA2ALDH1A1TSHRTDP1
SCHEMBL2986257 0.74 TDP1 (0.43) ALDH1A1ALPLTDP1
SCHEMBL1088018 0.74 ALPL (0.46) CA2ALPLALPITSHR
SCHEMBL1056080 0.72 CA1 (0.42) CA2ALDH1A1GABRA1GABRB2ALPL
SCHEMBL2973941 0.72 GAA (0.47) ALDH1A1GAA
SCHEMBL25450879 0.69 GABRA1 (0.43) CA2NLRP3ALDH1A1GABRA1GABRB2

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 11 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-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 CA2 2362/4885NLRP3 2829/4885ALDH1A1 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.