SCHEMBL1618312

SCHEMBL1618312

O=C(NS(=O)(=O)C(F)(F)F)C(F)(F)F.[KH]

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.46
CA1 P00915 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CA12 O43570 2/20 0.33
CA9 Q16790 2/20 0.33
MAPK1 P28482 1/20 0.33
CA3 P07451 2/20 0.31
CA5A P35218 2/20 0.31
CA5B Q9Y2D0 2/20 0.31
CA4 P22748 1/20 0.31
CA6 P23280 1/20 0.31
CA7 P43166 1/20 0.31
CA14 Q9ULX7 1/20 0.31

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
SCHEMBL319638 0.97 CA2 (0.48) CA2CA1SMN1; SMN2ALDH1A1POLB
SCHEMBL1617168 0.95 CA2 (0.46) CA2CA1SMN1; SMN2ALDH1A1POLB
Phosphine SCHEMBL2053857 0.95 CA2 (0.46) CA2CA1SMN1; SMN2ALDH1A1POLB
SCHEMBL2003827 0.95 CA2 (0.46) CA2CA1SMN1; SMN2ALDH1A1POLB
SCHEMBL30197064 0.95 CA2 (0.46) CA2CA1SMN1; SMN2ALDH1A1POLB
Ammonia Solution, Strong SCHEMBL2053881 0.95 CA2 (0.46) CA2CA1SMN1; SMN2ALDH1A1POLB
Lithium SCHEMBL30020591 0.95 CA2 (0.46) CA2CA1SMN1; SMN2ALDH1A1POLB
Tetramethylammonium Ion SCHEMBL14953647 0.89 CA2 (0.41) CA2CA1SMN1; SMN2ALDH1A1POLB
SCHEMBL14953604 0.86 CA2 (0.39) CA2CA1SMN1; SMN2ALDH1A1POLB
SCHEMBL1618468 0.83 CA2 (0.40) CA2CA1SMN1; SMN2ALDH1A1POLB

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1414088-B1 NOVEL ONIUM SALT, ELECTROLYTE FOR NONAQUEOUS CELL CONTAINING THE NOVEL ONIUM SALT FOR NONAQUEOUS CELL, AND METHOD FOR OPTIMIZING A NEGATIVE ELECTRODE USING AN ELECTROLYTE CONTAINING THE ONIUM SALT TOKUYAMA CORP (JP) 2013-05-22 EP disclosed
US-7923142-B2 Onium salt, electrolyte for nonaqueous cell containing the novel onium salt for nonaqueous cell and method for optimizing negative electrode using electrolyte containing onium salt TOKUYAMA CORPORATION (JP) 2011-04-12 US disclosed
US-7846576-B2 Onium salt, electrolyte for non-aqueous cell containing the novel onium salt for nonaqueous cell, and method for optimizing negative electrode using elecrolyte containing onium salt TOKUYAMA CORPORATION (JP) 2010-12-07 US disclosed
US-20080039634-A1 NOVEL ONIUM SALT, ELECTROLYTE FOR NONAQUEOUS CELL CONTAINING THE NOVEL ONIUM SALT FOR NONAQUEOUS CELL AND METHOD FOR OPTIMIZING NEGATIVE ELECTRODE USING ELECTROLYTE CONTAINING ONIUM SALT TOKUYAMA CORPORATION 2008-02-14 US disclosed
US-20040170890-A1 Novel onium salt, electrolyte for non-aqueous cell containing the novel onium salt for nonaqueous cell, and method for optimizing negative electrode using elecrolyte containing onium salt NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2004-09-02 US disclosed
EP-1414088-A1 NOVEL ONIUM SALT, ELECTROLYTE FOR NONAQUEOUS CELL CONTAINING THE NOVEL ONIUM SALT FOR NONAQUEOUS CELL, AND METHOD FOR OPTIMIZING NEGATIVE ELECTRODE USING ELECTROLYTE CONTAINING ONIUM SALT Tokuyama Corporation (JP) 2004-04-28 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 (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-20040170890-A1 Novel onium salt, electrolyte for non-aqueous cell containing the novel onium salt for nonaqueous cell, and method for optimizing negative electrode using elecrolyte containing onium salt ALPL, CACNA2D3, FASTKD5 CA2 4/4885CA1 9/4885SMN1; SMN2 1685/4885
US-20080039634-A1 NOVEL ONIUM SALT, ELECTROLYTE FOR NONAQUEOUS CELL CONTAINING THE NOVEL ONIUM SALT FOR NONAQUEOUS CELL AND METHOD FOR OPTIMIZING NEGATIVE ELECTRODE USING ELECTROLYTE CONTAINING ONIUM SALT CA2, SLC9A2, HCN3 CA2 1/4885CA1 28/4885SMN1; SMN2 2797/4885

“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.