SCHEMBL17355703

SCHEMBL17355703

Cc1c(F)c(F)c(OS(C)(=O)=O)c(F)c1F

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
CYP1A2 P05177 1/20 0.30
ALPL P05186 1/20 0.30
TSHR P16473 1/20 0.30
HSD17B10 Q99714 1/20 0.30
KDM4E B2RXH2 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL585314 0.87 CA1 (0.56) CA1CA2CA9TSHR
SCHEMBL4345099 0.83 CA1 (0.46) CA1CA2CA9TSHR
SCHEMBL9957855 0.81 CA1 (0.44) CA1CA2CA9TSHRHSD17B10
SCHEMBL28988340 0.79 CA1 (0.48) CA1CA2CA9
SCHEMBL9957399 0.77 CA1 (0.46) CA1CA2CA9TSHRHSD17B10
SCHEMBL13488483 0.76 CA1 (0.40) CA1CA2CA9
SCHEMBL17356397 0.76 SMN1; SMN2 (0.43) CA1CA2CA9TSHRKMT2A
SCHEMBL3742731 0.74 CA1 (0.41) CA1CA2CA9CYP1A2ALPL
SCHEMBL9958126 0.74 CA1 (0.43) CA1CA2CA9TSHR
SCHEMBL29210219 0.74 CA1 (0.31) CA1CA2CA9KDM4EKMT2A

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 CA1 1448/4885CA2 286/4885CA9 2848/4885

“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.