SCHEMBL17048610

SCHEMBL17048610

COc1ccc(CN(c2ncns2)S(=O)(=O)c2cc(F)c(Oc3cc(C4CN(C(c5ccccc5)c5ccccc5)C4)cc(C(F)(F)F)c3)cc2F)c(OC)c1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 11/20 0.34
SCN5A Q14524 2/20 0.32
CACNA1A O00555 1/20 0.31
CACNA2D1 P54289 1/20 0.31
CACNB1 Q02641 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL18882706 0.92 SCN9A (0.33) SCN9ASCN5AKDM4EALDH1A1
SCHEMBL17048624 0.86 SCN9A (0.37) SCN9A
SCHEMBL17048570 0.85 SCN9A (0.37) SCN9A
SCHEMBL17048717 0.84 SCN9A (0.36) SCN9A
SCHEMBL18882664 0.83 SCN9A (0.35) SCN9A
SCHEMBL17048511 0.83 SCN9A (0.35) SCN9AMEN1KMT2A
SCHEMBL17048582 0.83 RORC (0.38) SCN9AMEN1KMT2A
SCHEMBL17048565 0.82 SCN9A (0.39) SCN9AKDM4EALDH1A1
SCHEMBL17048705 0.82 SCN9A (0.35) SCN9AKDM4EALDH1A1TDP1
SCHEMBL17048626 0.82 TAS2R14 (0.36) SCN9AMEN1KMT2AKDM4EALDH1A1

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 27/4885CACNA1A 69/4885
US-11236078-B2 Heterocyclic inhibitors of the sodium channel SCN1B, TRPM6, SCN1A SCN9A 32/4885SCN5A 30/4885CACNA1A 63/4885

“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.