SCHEMBL17048652

SCHEMBL17048652

COc1ccc(CN(c2nncs2)S(=O)(=O)c2cc(F)c(Oc3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2F)c(OC)c1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 11/20 0.37
GAA P10253 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP2C9 P11712 2/20 0.32
SCN1A P35498 1/20 0.32
SCN2A Q99250 1/20 0.32
SCN8A Q9UQD0 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
HDAC8 Q9BY41 1/20 0.32
CETP P11597 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
SCN5A Q14524 1/20 0.31
RORC P51449 1/20 0.31
BMP1 P13497 1/20 0.31

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
SCHEMBL18882670 0.95 SCN9A (0.35) SCN9AGAANPC1RAB9ASMN1; SMN2
SCHEMBL17048637 0.95 SCN9A (0.38) SCN9ACYP2C9SCN1ASCN2ASCN8A
SCHEMBL17048560 0.87 BMP1 (0.37) SCN9AGAANPC1RAB9ASMN1; SMN2
SCHEMBL14921743 0.87 SMN1; SMN2 (0.39) GAANPC1RAB9ASMN1; SMN2MEN1
SCHEMBL17048624 0.86 SCN9A (0.37) SCN9AGAA
SCHEMBL17048570 0.84 SCN9A (0.37) SCN9AGAA
SCHEMBL18882667 0.83 SCN9A (0.37) SCN9AGAANPC1RAB9ASMN1; SMN2
SCHEMBL17048608 0.83 SCN9A (0.43) SCN9A
SCHEMBL1095453 0.83 SMN1; SMN2 (0.37) SCN9AGAANPC1RAB9ASMN1; SMN2
SCHEMBL17048717 0.83 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 1797/4885NPC1 667/4885
US-11236078-B2 Heterocyclic inhibitors of the sodium channel SCN1B, TRPM6, SCN1A SCN9A 32/4885GAA 1714/4885NPC1 934/4885

“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.