SCHEMBL17048636

SCHEMBL17048636

COc1ccc(CN(c2ncns2)S(=O)(=O)c2ccc(Oc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c(C#N)c2)c(OC)c1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 3/20 0.42
SCN9A Q15858 17/20 0.41
CYP3A4 P08684 3/20 0.40
CYP2C9 P11712 3/20 0.40
SCN5A Q14524 3/20 0.40

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
SCHEMBL1094099 0.90 SCN9A (0.44) SCN9ACYP3A4CYP2C9SCN5A
SCHEMBL17048544 0.89 SCN9A (0.42) SCN9ASCN5A
SCHEMBL17048606 0.89 SCN9A (0.42) SCN9A
SCHEMBL17048525 0.88 SCN9A (0.43) SCN9ASCN5A
SCHEMBL17056209 0.87 SCN9A (0.35) SLC22A12SCN9ACYP3A4CYP2C9SCN5A
SCHEMBL14891659 0.87 SCN9A (0.41) SCN9ACYP3A4CYP2C9SCN5A
SCHEMBL17048608 0.87 SCN9A (0.43) SLC22A12SCN9A
SCHEMBL1094068 0.86 SCN9A (0.60) SCN9ACYP3A4CYP2C9SCN5A
SCHEMBL1094993 0.85 SCN9A (0.46) SLC22A12SCN9A
SCHEMBL320220 0.85 SCN9A (0.40) SCN9ACYP3A4CYP2C9SCN5A

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 3 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-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

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 SLC22A12 670/4885SCN9A 29/4885CYP3A4 3678/4885
US-11236078-B2 Heterocyclic inhibitors of the sodium channel SCN1B, TRPM6, SCN1A SLC22A12 706/4885SCN9A 32/4885CYP3A4 3877/4885

“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.