SCHEMBL17356451

SCHEMBL17356451

O=S(=O)(Oc1ccc(F)c(C(F)(F)F)c1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 6/20 0.49
ENPP1 P22413 5/20 0.49
ENPP2 Q13822 4/20 0.49
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
KIF11 P52732 3/20 0.42
TDP1 Q9NUW8 2/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SLC22A12 Q96S37 1/20 0.39
PTPN1 P18031 2/20 0.38
GPR17 Q13304 1/20 0.38
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL17356449 0.90 SLC22A12 (0.44) ENPP3ENPP1ENPP2CA2CA9
SCHEMBL17352149 0.87 MEN1 (0.50) ENPP3ENPP1ENPP2CA2KIF11
SCHEMBL17356442 0.87 TDP1 (0.53) ENPP3ENPP1ENPP2CA2TDP1
SCHEMBL17356466 0.87 SOS1 (0.42) ENPP3ENPP1ENPP2KIF11TDP1
SCHEMBL17355687 0.84 ENPP3 (0.48) ENPP3ENPP1ENPP2CA1CA2
SCHEMBL2065585 0.80 CA1 (0.56) ENPP3ENPP1ENPP2CA1CA2
SCHEMBL17356435 0.79 CA1 (0.44) CA1CA2CA9KIF11SLC22A12
SCHEMBL17356302 0.78 SLC22A12 (0.41) CA1CA2CA9KIF11SLC22A12
SCHEMBL17356309 0.78 HTR1D (0.43) CA1CA2CA9SLC22A12ALDH1A1
SCHEMBL17356434 0.77 MEN1 (0.50) TDP1SLC22A12MEN1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150372349-A1 NON-AQUEOUS ELECTROLYTE AND ELECTRICITY STORAGE DEVICE UBE INDUSTRIES, LTD. (JP) 2015-12-24 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-20150372349-A1 NON-AQUEOUS ELECTROLYTE AND ELECTRICITY STORAGE DEVICE HCN2, SCO2, HCN1 ENPP3 891/4885ENPP1 489/4885ENPP2 2808/4885

“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.