SCHEMBL17356302

SCHEMBL17356302

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

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 3/20 0.41
HTR2A P28223 1/20 0.39
SLC6A4 P31645 1/20 0.39
KCNH2 Q12809 1/20 0.39
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
AR P10275 4/20 0.36
ALDH1A1 P00352 1/20 0.36
MPL P40238 1/20 0.36
PLA2G7 Q13093 1/20 0.35
PTPN7 P35236 1/20 0.35
DUSP3 P51452 1/20 0.35
CDK8 P49336 1/20 0.35
KIF11 P52732 3/20 0.35
KCNN4 O15554 1/20 0.34

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
SCHEMBL17356309 0.86 HTR1D (0.43) SLC22A12HTR2ASLC6A4KCNH2CA1
SCHEMBL17352133 0.84 ALDH1A1 (0.53) SLC22A12HTR2ASLC6A4KCNH2CA1
SCHEMBL17356299 0.83 SLC22A12 (0.42) SLC22A12HTR2ASLC6A4KCNH2CA1
SCHEMBL17356304 0.81 HTR2A (0.42) SLC22A12HTR2ASLC6A4KCNH2CA2
SCHEMBL17352174 0.80 SLC22A12 (0.38) SLC22A12HTR2ASLC6A4KCNH2CA1
SCHEMBL17352171 0.80 HTR2A (0.39) SLC22A12HTR2ASLC6A4KCNH2CA1
SCHEMBL17356435 0.80 CA1 (0.44) SLC22A12HTR2ASLC6A4KCNH2CA1
SCHEMBL17356440 0.80 CNR2 (0.39) SLC22A12HTR2ASLC6A4KCNH2CA1
SCHEMBL17356466 0.79 SOS1 (0.42) SLC22A12HTR2ASLC6A4KCNH2PLA2G7
SCHEMBL17356449 0.79 SLC22A12 (0.44) SLC22A12CA2CA9ALDH1A1KIF11

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 SLC22A12 236/4885HTR2A 4567/4885SLC6A4 2741/4885

“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.