SCHEMBL1618316

SCHEMBL1618316

O=C(NC(F)(F)C(F)(F)F)C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.48
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CA3 P07451 2/20 0.34
CA5A P35218 2/20 0.34
CA5B Q9Y2D0 2/20 0.34
CA12 O43570 1/20 0.34
CA4 P22748 1/20 0.34
CA6 P23280 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
EPHX1 P07099 1/20 0.32

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
SCHEMBL2757992 0.77 CA2 (0.48) CA2ALDH1A1POLBSMN1; SMN2MEN1
SCHEMBL1618588 0.75 CA2 (0.53) CA2ALDH1A1POLBSMN1; SMN2MEN1
SCHEMBL6729052 0.73 CA2 (0.30) CA2
SCHEMBL6729057 0.73 THRB (0.32) CA2
SCHEMBL16499940 0.71
SCHEMBL4587792 0.71 TSHR (0.35) CA2CA5ACA9
SCHEMBL2884635 0.67 CA2 (0.59) CA2ALDH1A1POLBSMN1; SMN2MEN1
SCHEMBL2053132 0.67 CA2 (0.59) CA2ALDH1A1POLBSMN1; SMN2MEN1
SCHEMBL6462028 0.67 CA2 (0.39) CA2ALDH1A1POLBSMN1; SMN2MEN1
SCHEMBL6462033 0.67 CA2 (0.39) CA2ALDH1A1POLBSMN1; SMN2MEN1

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 4/4885ALDH1A1 3028/4885POLB 2840/4885
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 1/4885ALDH1A1 4170/4885POLB 3149/4885

“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.