SCHEMBL1618323

SCHEMBL1618323

O=S(=O)(NCC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA2 P00918 11/20 0.42
CA1 P00915 9/20 0.42
MMP1 P03956 3/20 0.42
MMP2 P08253 3/20 0.42
MMP9 P14780 3/20 0.42
MMP8 P22894 3/20 0.42
MMP13 P45452 3/20 0.42
CA7 P43166 1/20 0.31
CA13 Q8N1Q1 1/20 0.31
EPHX1 P07099 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
SCHEMBL1618144 0.91 CA2 (0.46) CA2CA1MMP1MMP2MMP9
SCHEMBL1618552 0.89 EPHX1 (0.39) CA2CA1MMP1MMP2MMP9
SCHEMBL14066567 0.86 CA1 (0.36) CA2CA1MMP1MMP2MMP9
SCHEMBL25438475 0.72 CA1 (0.38) CA2CA1MMP1MMP2MMP9
SCHEMBL19050428 0.70 EPHX1 (0.42) CA2CA1MMP1MMP2MMP9
SCHEMBL11760030 0.70 CA1 (0.46) CA2CA1MMP1MMP2MMP9
SCHEMBL14066568 0.68 EPHX1 (0.41) CA2CA1MMP1MMP2MMP9
SCHEMBL28880222 0.68 CA2 (0.53) CA2CA1MMP1MMP2MMP9
SCHEMBL2231136 0.67 CA2 (0.50) CA2CA1MMP1MMP2MMP9
SCHEMBL10061599 0.67 EPHX1 (0.53) CA2CA1MMP1MMP2MMP9

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 9/4885MMP1 332/4885
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 28/4885MMP1 387/4885

“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.