SCHEMBL2987013

SCHEMBL2987013

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
TDP1 Q9NUW8 2/20 0.44
ATM Q13315 1/20 0.44
KDM4E B2RXH2 3/20 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
HSD11B1 P28845 1/20 0.39
HSD17B3 P37058 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TSHR P16473 1/20 0.39
BCHE P06276 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
NAMPT P43490 1/20 0.38
ELANE P08246 1/20 0.37
CA1 P00915 1/20 0.37

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
SCHEMBL10319651 0.83 ALDH1A1 (0.42) ALDH1A1TDP1ATMKDM4EGAA
SCHEMBL4874803 0.82 CA2 (0.51) ALDH1A1TDP1ATMKDM4EGAA
SCHEMBL6941315 0.82 SLC22A12 (0.40) ALDH1A1GAARXRARXRBRXRG
SCHEMBL10180520 0.82 SMN1; SMN2 (0.36) ALDH1A1ATMKDM4EGAARXRA
SCHEMBL2977757 0.81 ALDH1A1 (0.42) ALDH1A1TDP1ATMKDM4EGAA
SCHEMBL9958146 0.80 ALDH1A1 (0.41) ALDH1A1CYP1A2HSD17B10TSHRCA1
SCHEMBL3839152 0.80 NFE2L2 (0.42) ALDH1A1KDM4EELANECA1CA2
SCHEMBL1997201 0.79 TDP1 (0.44) ALDH1A1TDP1ATMKDM4EGAA
SCHEMBL2986382 0.79 HSD11B1 (0.54) ALDH1A1TDP1ATMKDM4EGAA
SCHEMBL15454201 0.79 ELANE (0.34) ALDH1A1KDM4ERXRARXRBRXRG

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 37 patents — showing the first 20. 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-10777850-B2 Nonaqueous electrolytic solution and nonaqueous electrolyte secondary battery using the same MITSUBISHI CHEMICAL CORPORATION (JP) 2020-09-15 US disclosed
CN-107078352-B Nonaqueous electrolyte solution and nonaqueous electrolyte secondary battery using same 三菱化学株式会社 2020-04-28 CN disclosed
CN-111066192-A Nonaqueous electrolyte secondary battery 三菱化学株式会社 2020-04-24 CN disclosed
US-10424812-B2 Non-aqueous electrolytic solution and non-aqueous electrolyte secondary battery using the same MITSUBISHI CHEMICAL CORPORATION (JP) 2019-09-24 US disclosed
CN-106415910-B Nonaqueous electrolyte solution and nonaqueous electrolyte secondary battery using same 三菱化学株式会社 2019-05-03 CN disclosed
US-20190051941-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS ELECTROLYTE SECONDARY BATTERY USING THE SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2019-02-14 US disclosed
US-10177414-B2 Nonaqueous electrolytic solution and nonaqueous electrolyte secondary battery using the same MITSUBISHI CHEMICAL CORPORATION (JP) 2019-01-08 US disclosed
EP-3051618-B1 NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS ELECTROLYTE BATTERY USING SAME MITSUBISHI CHEM CORP (JP) 2018-11-14 EP disclosed
EP-3203569-B1 NONAQUEOUS ELECTROLYTE, AND NONAQUEOUS ELECTROLYTE SECONDARY BATTERY USING SAME MITSUBISHI CHEM CORP (JP) 2018-10-31 EP 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
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
CN-102576904-A Lithium secondary battery, and non-aqueous electrolytic solution for use in the lithium secondary battery UBE INDUSTRIES 2012-07-11 CN disclosed
US-20100317653-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS ASTRAZENECA AB (SE) 2010-12-16 US disclosed
US-7795283-B2 Oxadiazole derivative as DGAT inhibitors ASTRAZENECA AB (SE) 2010-09-14 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
US-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors ASTRAZENECA AB (SE) 2008-04-24 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 (3 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-20100317653-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS DGAT1, DGAT2, GPR119 ALDH1A1 314/4885TDP1 4089/4885ATM 3215/4885
US-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors DGAT1, DGAT2, GPR119 ALDH1A1 303/4885TDP1 3959/4885ATM 3115/4885
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 ALDH1A1 4091/4885TDP1 421/4885ATM 164/4885

“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.