SCHEMBL1723540

SCHEMBL1723540

CC(C)(C)c1cc(OS(=O)(=O)C(F)(F)F)cc(C(C)(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
CA9 Q16790 2/20 0.40
GABRA1 P14867 1/20 0.37
GABRB2 P47870 1/20 0.37
CXCR2 P25025 2/20 0.36
HSD11B1 P28845 1/20 0.35
CXCR1 P25024 1/20 0.35
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
RXRG P48443 1/20 0.34
HTR1D P28221 4/20 0.34
HTR1A P08908 3/20 0.34
HTR1B P28222 3/20 0.34
HTR2C P28335 1/20 0.33
HTR7 P34969 1/20 0.33
HTR6 P50406 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
DRD2 P14416 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
SCHEMBL309328 0.89 ALDH1A1 (0.38) CA1CA2CA9CXCR2HSD11B1
SCHEMBL7598776 0.83 CA1 (0.42) CA1CA2CA9CXCR2HSD11B1
SCHEMBL2349455 0.82 ACHE (0.44) CA1CA2CA9HSD11B1RXRA
SCHEMBL926505 0.80 CA2 (0.41) CA1CA2CA9CXCR2HSD11B1
SCHEMBL2832043 0.80 CA1 (0.63) CA1CA2CA9CXCR2HSD11B1
SCHEMBL2464966 0.79 ALDH1A1 (0.49) CA1CA2CA9GABRA1GABRB2
SCHEMBL12620501 0.79 CA9 (0.45) CA1CA2CA9HSD11B1RXRA
Hydrogen Sulfide SCHEMBL16581552 0.78 CA1 (0.61) CA1CA2CA9CXCR2HSD11B1
SCHEMBL2618587 0.78 CA1 (0.33) CA1CA2CA9GABRA1GABRB2
SCHEMBL1473223 0.77 HTR1D (0.35) CA1CA2CA9CXCR2HSD11B1

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11500247-B2 Liquid crystal sensor PLATYPUS TECHNOLOGIES, LLC (US) 2022-11-15 US disclosed
US-20200409221-A1 LIQUID CRYSTAL SENSOR PLATYPUS TECHNOLOGIES, LLC 2020-12-31 US disclosed
US-20170212088-A1 DETECTION OF GAS-PHASE ANALYTES USING LIQUID CRYSTALS PLATYPUS TECHNOLOGIES, LLC 2017-07-27 US disclosed
US-9575037-B2 Detection of gas-phase analytes using liquid crystals PLATYPUS TECHNOLOGIES, LLC (US) 2017-02-21 US disclosed
US-20160274084-A1 DETECTION OF VAPOR PHASE COMPOUNDS BY CHANGES IN PHYSICAL PROPERTIES OF A LIQUID CRYSTAL PLATYPUS TECHNOLOGIES, LLC 2016-09-22 US disclosed
US-9341576-B2 Detection of vapor phase compounds by changes in physical properties of a liquid crystal PLATYPUS TECHNOLOGIES, LLC (US) 2016-05-17 US disclosed
US-20160018371-A1 DETECTION OF GAS-PHASE ANALYTES USING LIQUID CRYSTALS PLATYPUS TECHNOLOGIES, LLC 2016-01-21 US disclosed
WO-2014165196-A1 DETECTION OF GAS-PHASE ANALYTES USING LIQUID CRYSTALS PLATYPUS TECHNOLOGIES, LLC (US) 2014-10-09 WO disclosed
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
EP-2344879-A2 DETECTION OF VAPOR PHASE COMPOUNDS BY CHANGES IN PHYSICAL PROPERTIES OF A LIQUID CRYSTAL Platypus Technologies, LLC (US) 2011-07-20 EP disclosed
CN-101795998-A Method for producing aromatic compound UBE INDUSTRIES 2010-08-04 CN disclosed
US-20100093096-A1 DETECTION OF VAPOR PHASE COMPOUNDS BY CHANGES IN PHYSICAL PROPERTIES OF A LIQUID CRYSTAL PLATYPUS TECHNOLOGIES, LLC (US) 2010-04-15 US disclosed
WO-2010031047-A2 DETECTION OF VAPOR PHASE COMPOUNDS BY CHANGES IN PHYSICAL PROPERTIES OF A LIQUID CRYSTAL PLATYPUS TECHNOLOGIES, LLC (US) 2010-03-18 WO 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-20080269486-A1 Reconfigurable molecules and molecular switches, sensors, and dyes employing the same HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. 2008-10-30 US disclosed
US-20080269486-A1 Reconfigurable molecules and molecular switches, sensors, and dyes employing the same HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. 2008-10-30 US disclosed
WO-2000026173-A1 NOVEL RETINOIDS, METHODS FOR THEIR PRODUCTION AND USE LIGAND PHARMACEUTICALS INCORPORATED (DE) 2000-05-11 WO 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 (2 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-20080269486-A1 Reconfigurable molecules and molecular switches, sensors, and dyes employing the same RBX1, DDX1, DDX3X CA1 2048/4885CA2 2384/4885CA9 2604/4885
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 CA1 3264/4885CA2 2362/4885CA9 1253/4885

“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.