SCHEMBL17048544

SCHEMBL17048544

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

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 9/20 0.42
GAA P10253 1/20 0.35
BMP1 P13497 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CETP P11597 1/20 0.33
MDM2 Q00987 1/20 0.33
PTGS1 P23219 2/20 0.33
PTGS2 P35354 2/20 0.33
TAS2R14 Q9NYV8 1/20 0.33
SCN5A Q14524 1/20 0.32

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
SCHEMBL18882676 0.95 SCN9A (0.40) SCN9AGAAMEN1KMT2AMDM2
SCHEMBL17048606 0.91 SCN9A (0.42) SCN9AGAAKMT2AMDM2PTGS2
SCHEMBL17048525 0.91 SCN9A (0.43) SCN9AGAABMP1MDM2SCN5A
SCHEMBL17048624 0.90 SCN9A (0.37) SCN9AGAA
SCHEMBL17048636 0.89 SLC22A12 (0.42) SCN9ASCN5A
SCHEMBL17048570 0.87 SCN9A (0.37) SCN9AGAA
SCHEMBL18882683 0.87 SCN9A (0.40) SCN9AGAAKMT2AMDM2PTGS1
SCHEMBL18882671 0.86 SCN9A (0.41) SCN9AGAABMP1
SCHEMBL17048592 0.86 SCN9A (0.39) SCN9ACETP
SCHEMBL17048717 0.86 SCN9A (0.36) SCN9AGAA

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 29/4885GAA 1797/4885BMP1 1993/4885
US-11236078-B2 Heterocyclic inhibitors of the sodium channel SCN1B, TRPM6, SCN1A SCN9A 32/4885GAA 1714/4885BMP1 2319/4885

“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.