SCHEMBL17048668

SCHEMBL17048668

O=S(=O)(Nc1cccnn1)c1cc(F)c(F)cc1F

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 11/20 0.48
SCN5A Q14524 3/20 0.48
SCN1A P35498 2/20 0.48
SCN8A Q9UQD0 2/20 0.48
SLC22A12 Q96S37 2/20 0.46
SCN3A Q9NY46 1/20 0.44
ALPL P05186 1/20 0.41
GOT1 P17174 1/20 0.40
ACLY P53396 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
SCHEMBL1093914 0.89 SCN9A (0.55) SCN9ASCN5ASCN1ASCN8ASLC22A12
SCHEMBL29668849 0.89 SCN9A (0.55) SCN9ASCN5ASCN1ASCN8ASLC22A12
SCHEMBL16177879 0.83 KDM4E (0.47) SCN9ASCN5ASCN1ASCN8ASLC22A12
SCHEMBL20237831 0.79 SCN1A (0.51) SCN9ASCN5ASCN1ASCN8ASLC22A12
SCHEMBL29668958 0.79 SCN1A (0.51) SCN9ASCN5ASCN1ASCN8ASLC22A12
SCHEMBL29514082 0.78 SCN9A (0.54) SCN9ASCN5ASLC22A12SCN3A
SCHEMBL17048601 0.78 SCN9A (0.54) SCN9ASCN5ASLC22A12SCN3A
SCHEMBL16757123 0.77 SCN5A (0.55) SCN9ASCN5ASCN1ASCN8A
SCHEMBL322328 0.74 SCN9A (0.56) SCN9ASLC22A12
SCHEMBL1094175 0.72 GAA (0.58) GOT1

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
US-11236078-B2 Heterocyclic inhibitors of the sodium channel DeGiacomo, Mark G. (US) 2022-02-01 US disclosed
US-11236078-B2 Heterocyclic inhibitors of the sodium channel DeGiacomo, Mark G. (US) 2022-02-01 US disclosed
US-20170145003-A1 HETEROCYCLIC INHIBITORS OF THE SODIUM CHANNEL DeGiacomo, Mark G. (US) 2017-05-25 US disclosed
US-20170145003-A1 HETEROCYCLIC INHIBITORS OF THE SODIUM CHANNEL DeGiacomo, Mark G. (US) 2017-05-25 US disclosed
WO-2015130957-A1 HETEROCYCLIC INHIBITORS OF THE SODIUM CHANNEL Zalicus Pharmaceuticals, Ltd. (US) 2015-09-03 WO disclosed
WO-2015130957-A1 HETEROCYCLIC INHIBITORS OF THE SODIUM CHANNEL Zalicus Pharmaceuticals, Ltd. (US) 2015-09-03 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 (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-20170145003-A1 HETEROCYCLIC INHIBITORS OF THE SODIUM CHANNEL SCN1B, SCN1A, CACNA1S SCN9A 29/4885SCN5A 27/4885SCN1A 2/4885
US-11236078-B2 Heterocyclic inhibitors of the sodium channel SCN1B, TRPM6, SCN1A SCN9A 32/4885SCN5A 30/4885SCN1A 3/4885

“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.