SCHEMBL17048637

SCHEMBL17048637

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

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 11/20 0.38
CETP P11597 2/20 0.34
CYP2C9 P11712 2/20 0.34
SCN1A P35498 1/20 0.34
SCN2A Q99250 1/20 0.34
SCN8A Q9UQD0 1/20 0.34
CSNK1D P48730 1/20 0.33
SCN5A Q14524 1/20 0.33
MAPT P10636 1/20 0.32
TSPO P30536 3/20 0.32
MEN1 O00255 1/20 0.32
TSHR P16473 1/20 0.32
KMT2A Q03164 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
SCHEMBL17048652 0.95 SCN9A (0.37) SCN9ACETPCYP2C9SCN1ASCN2A
SCHEMBL18882670 0.91 SCN9A (0.35) SCN9ACYP2C9SCN1ASCN2ASCN8A
SCHEMBL17048592 0.86 SCN9A (0.39) SCN9ACETP
SCHEMBL17048560 0.82 BMP1 (0.37) SCN9ACETPMAPTMEN1TSHR
SCHEMBL14921743 0.81 SMN1; SMN2 (0.39) MEN1TSHRKMT2A
SCHEMBL17048624 0.81 SCN9A (0.37) SCN9A
SCHEMBL17048608 0.80 SCN9A (0.43) SCN9A
SCHEMBL17048570 0.79 SCN9A (0.37) SCN9A
SCHEMBL18882667 0.78 SCN9A (0.37) SCN9ACYP2C9MAPTMEN1TSHR
SCHEMBL17048717 0.78 SCN9A (0.36) SCN9A

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 SCN9A 29/4885CETP 4297/4885CYP2C9 1433/4885
US-11236078-B2 Heterocyclic inhibitors of the sodium channel SCN1B, TRPM6, SCN1A SCN9A 32/4885CETP 4430/4885CYP2C9 1375/4885

“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.