SCHEMBL2990599

SCHEMBL2990599

Cc1ccc(S(=O)(=O)Oc2cc(C(C)(C)C)ccc2C(C)(C)C)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.50
HSD17B3 P37058 1/20 0.50
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43
KMT2A Q03164 5/20 0.43
MEN1 O00255 4/20 0.43
GAA P10253 3/20 0.43
ESR1 P03372 1/20 0.43
ESR2 Q92731 1/20 0.43
CYP1A2 P05177 2/20 0.41
LMNA P02545 2/20 0.41
MAPK1 P28482 1/20 0.41
GFER P55789 1/20 0.40
ALDH1A1 P00352 4/20 0.40
MAPT P10636 1/20 0.40
RECQL P46063 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL2459913 0.88 HSD11B1 (0.50) HSD11B1HSD17B3CA1CA2CA9
SCHEMBL2986255 0.87 HSD11B1 (0.55) HSD11B1HSD17B3CA1CA2CA9
SCHEMBL2983828 0.80 HSD11B1 (0.54) HSD11B1HSD17B3KMT2AMEN1GAA
SCHEMBL23409139 0.80 KMT2A (0.46) HSD11B1HSD17B3CA1CA2CA9
SCHEMBL2456740 0.78 CA1 (0.57) HSD11B1HSD17B3CA1CA2CA9
SCHEMBL2990067 0.76 MEN1 (0.62) HSD11B1HSD17B3CA1CA2CA9
SCHEMBL3839447 0.76 HSD11B1 (0.46) HSD11B1HSD17B3KMT2AMEN1GAA
Hydrogen Sulfide SCHEMBL15618664 0.75 MEN1 (0.61) HSD11B1HSD17B3CA1CA2CA9
Iodide SCHEMBL29092642 0.75 MEN1 (0.61) HSD11B1HSD17B3CA1CA2CA9
SCHEMBL2990043 0.75 CA1 (0.50) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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.