SCHEMBL991409

SCHEMBL991409

O=S(=O)(OCC(Cl)(Cl)Cl)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.36
CA1 P00915 2/20 0.36
CA9 Q16790 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
ATM Q13315 1/20 0.31
GPR35 Q9HC97 1/20 0.31
MCL1 Q07820 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
SCHEMBL34472243 0.85 CA2 (0.36) CA2CA1CA9
SCHEMBL12506990 0.79 CA2 (0.39) CA2CA1CA9
SCHEMBL26912 0.79 CA2 (0.56) CA2CA1CA9
SCHEMBL3524603 0.79 CA2 (0.39) CA2CA1CA9
SCHEMBL1855129 0.79 CA2 (0.39) CA2CA1CA9
SCHEMBL11613214 0.76 CA2 (0.34) CA2CA1CA9
SCHEMBL11617350 0.76 CA2 (0.34) CA2CA1CA9
SCHEMBL12643973 0.75 CA2 (0.36) CA2CA1CA9
SCHEMBL11612358 0.75 CA2 (0.40) CA2CA1CA9
SCHEMBL3242894 0.75 CA2 (0.36) CA2CA1CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102596942-B Cyclic triazo sodium channel blockers 格林威治大学 2016-11-02 CN disclosed
EP-2451806-B1 CYCLIC TRIAZO SODIUM CHANNEL BLOCKERS UNIV GREENWICH (GB) 2016-03-09 EP disclosed
US-9000155-B2 Cyclic triazo sodium channel blockers UNIVERSITY OF GREENWICH (GB) 2015-04-07 US disclosed
US-20140243343-A1 CYCLIC TRIAZO SODIUM CHANNEL BLOCKERS UNIVERSITY OF GREENWICH (GB) 2014-08-28 US disclosed
US-8748599-B2 Cyclic triazo sodium channel blockers UNIVERSITY OF GREENWICH (GB) 2014-06-10 US disclosed
CN-102596942-A Cyclic triazo sodium channel blockers UNIV GREENWICH 2012-07-18 CN disclosed
US-20120135992-A1 CYCLIC TRIAZO SODIUM CHANNEL BLOCKERS UNIVERSITY OF GREENWICH (GB) 2012-05-31 US disclosed
EP-2451806-A2 CYCLIC TRIAZO SODIUM CHANNEL BLOCKERS University of Greenwich (GB) 2012-05-16 EP disclosed
WO-2011004195-A2 CYCLIC TRIAZO SODIUM CHANNEL BLOCKERS UNIVERSITY OF GREENWICH (GB) 2011-01-13 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 (2 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-20120135992-A1 CYCLIC TRIAZO SODIUM CHANNEL BLOCKERS SCN5A, SCN1B, KCNH2 CA2 186/4885CA1 1219/4885CA9 2610/4885
US-20140243343-A1 CYCLIC TRIAZO SODIUM CHANNEL BLOCKERS SCN5A, SCN1B, KCNH1 CA2 183/4885CA1 1030/4885CA9 2318/4885

“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.