SCHEMBL2460558

SCHEMBL2460558

CC(C)(C)c1cccc(C(C)(C)C)c1OS(=O)(=O)C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.39
CA2 P00918 1/20 0.38
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
DRD2 P14416 1/20 0.35
DRD1 P21728 1/20 0.35
DRD4 P21917 1/20 0.35
DRD5 P21918 1/20 0.35
DRD3 P35462 1/20 0.35
CXCR2 P25025 1/20 0.34

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
SCHEMBL7597785 0.85 KMT2A (0.37) HSD11B1ALDH1A1DRD2DRD1DRD4
SCHEMBL29414132 0.80 TDP1 (0.44) HSD11B1ALDH1A1TSHRTDP1DRD2
SCHEMBL1997201 0.80 TDP1 (0.44) HSD11B1ALDH1A1TSHRTDP1DRD2
Hydrogen Sulfide SCHEMBL4225727 0.79 TDP1 (0.43) HSD11B1ALDH1A1TSHRTDP1DRD2
Iodide SCHEMBL6927596 0.79 TDP1 (0.43) HSD11B1ALDH1A1TSHRTDP1DRD2
SCHEMBL2454892 0.79 ALDH1A1 (0.47) CA2ALDH1A1TSHRTDP1
Iodide SCHEMBL1286189 0.78 DRD2 (0.37) HSD11B1TDP1DRD2DRD1DRD4
SCHEMBL29678667 0.77 DRD2 (0.36) DRD2DRD1DRD4DRD5DRD3
SCHEMBL1637318 0.77 RXRA (0.46) TDP1DRD2DRD4DRD3
SCHEMBL12646954 0.77 DRD2 (0.39) ALDH1A1DRD2DRD1DRD4DRD5

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 10 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
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
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 HSD11B1 2744/4885CA2 2362/4885ALDH1A1 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.