SCHEMBL261697

SCHEMBL261697

O=COc1c(F)c(F)c(S(=O)(=O)O)c(F)c1F

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 5/20 0.33
▸ CA2 P00918 5/20 0.33
▸ 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
▸ CA9 Q16790 1/20 0.31
▸ CA12 O43570 2/20 0.30
▸ CA7 P43166 2/20 0.30
▸ CA13 Q8N1Q1 2/20 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
SCHEMBL12019206 0.84 CA1 (0.31) CA1CA2
SCHEMBL18133308 0.82 CA1 (0.32) CA1CA2MMP1MMP2MMP9
SCHEMBL392504 0.77 CA1 (0.36) CA1CA2CA9
SCHEMBL2875483 0.76 CA2 (0.48) CA1CA2MMP1MMP2MMP9
SCHEMBL2759902 0.74 F2 (0.41) CA1CA2MMP1MMP2MMP9
SCHEMBL36242 0.74 CA2 (0.52) CA1CA2MMP1MMP2MMP9
SCHEMBL12835130 0.73 CA1 (0.38) CA1CA2MMP1MMP2MMP9
SCHEMBL24187580 0.72 — —
SCHEMBL13266810 0.72 — —
SCHEMBL21522351 0.71 CA2 (0.50) CA1CA2MMP1MMP2MMP9

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-2255201-B1 FLUORESCENCE POLARIZATION HERG ASSAY LIFE TECHNOLOGIES CORP (US) 2014-08-06 — — EP disclosed
US-20120231541-A1 FLUORESCENCE POLARIZATION hERG ASSAY Life Technologies Corporation (US) 2012-09-13 — — US disclosed
US-8133695-B2 Fluorescence polarization hERG assay Life Technologies Corporation (US) 2012-03-13 — — US disclosed
EP-2255201-A2 FLUORESCENCE POLARIZATION HERG ASSAY Life Technologies Corporation (US) 2010-12-01 — — EP disclosed
US-20090253148-A1 FLUORESCENCE POLARIZATION hERG ASSAY Life Technologies Corporation (US) 2009-10-08 — — US disclosed
WO-2009108905-A2 FLUORESCENCE POLARIZATION HERG ASSAY Life Technologies Corporation (US) 2009-09-03 — — WO 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-20090253148-A1 FLUORESCENCE POLARIZATION hERG ASSAY TNNI3, TNNT2, KCNQ1 CA1 4502/4885CA2 3669/4885MMP1 4862/4885

“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.

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