SCHEMBL2167121

SCHEMBL2167121

O=C(O)c1c(F)c(F)c(F)c(F)c1F.O=S(=O)(O)c1c(F)c(F)c(F)c(F)c1F.OCC#CCO

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.36
CA2 P00918 3/20 0.36
CA12 O43570 1/20 0.33
CA7 P43166 1/20 0.33
CA13 Q8N1Q1 1/20 0.33
HTT P42858 1/20 0.32
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP9 P14780 1/20 0.31
MMP8 P22894 1/20 0.31
MMP13 P45452 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
Acetic Acid SCHEMBL2167654 0.86 CA1 (0.38) CA1CA2CA12CA7CA13
SCHEMBL2166915 0.86 HTT (0.37) CA1CA2HTT
SCHEMBL7074393 0.85 CA1 (0.37) CA1CA2CA12CA7CA13
1,4-Butanediol SCHEMBL2168186 0.84 HTT (0.36) CA1CA2CA12CA7CA13
Formic Acid SCHEMBL2167610 0.80 CA1 (0.39) CA1CA2CA12CA7CA13
SCHEMBL2167118 0.80 CA1 (0.37) CA1CA2
SCHEMBL9405062 0.79 CA1 (0.40) CA1CA2CA12CA7CA13
SCHEMBL5014329 0.77 CA1 (0.39) CA1CA2CA12CA7CA13
SCHEMBL7738469 0.75 CA1 (0.34) CA1CA2CA12CA7CA13
SCHEMBL2167638 0.73 CA1 (0.39) CA1CA2CA12CA7CA13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8383274-B2 Nonaqueous electrolyte solution for lithium battery, lithium battery using same, and formyloxy group-containing compound used therein UBE INDUSTRIES, LTD. (JP) 2013-02-26 US disclosed
US-20110183199-A1 NONAQUEOUS ELECTROLYTE SOLUTION FOR LITHIUM BATTERY, LITHIUM BATTERY USING SAME, AND FORMYLOXY GROUP-CONTAINING COMPOUND USED THEREIN UBE INDUSTRIES, LTD. (JP) 2011-07-28 US 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-20110183199-A1 NONAQUEOUS ELECTROLYTE SOLUTION FOR LITHIUM BATTERY, LITHIUM BATTERY USING SAME, AND FORMYLOXY GROUP-CONTAINING COMPOUND USED THEREIN HCN2, KCNN2, KCNB1 CA1 1104/4885CA2 737/4885CA12 2017/4885

“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.