SCHEMBL17048537

SCHEMBL17048537

COc1ccc(CN(c2nccs2)S(=O)(=O)c2ccc(Oc3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2)c(OC)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BMP1 P13497 2/20 0.39
GAA P10253 1/20 0.37
TLR8 Q9NR97 1/20 0.36
MMP1 P03956 5/20 0.36
MMP9 P14780 5/20 0.36
MMP13 P45452 5/20 0.36
ADAM17 P78536 3/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SCN9A Q15858 2/20 0.35
PGR P06401 2/20 0.35
NR3C1 P04150 1/20 0.35
SRC P12931 1/20 0.35
ZAP70 P43403 1/20 0.35
SYK P43405 1/20 0.35
ALOX12 P18054 1/20 0.35
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
SCN5A Q14524 1/20 0.34
NPC1 O15118 1/20 0.34

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
SCHEMBL18882669 0.95 GAA (0.37) BMP1GAAMMP1MMP9MMP13
SCHEMBL17048560 0.86 BMP1 (0.37) BMP1GAAMMP1MMP9MMP13
SCHEMBL17048525 0.86 SCN9A (0.43) BMP1GAAMMP1MMP9MMP13
SCHEMBL17048628 0.85 KEAP1 (0.41) MEN1KMT2ASCN9AALOX12NPC1
SCHEMBL29668838 0.85 KEAP1 (0.41) MEN1KMT2ASCN9AALOX12NPC1
SCHEMBL20485792 0.84 CNR2 (0.43) GAAMEN1KMT2AALOX12ALDH1A1
SCHEMBL28282417 0.84 ESR1 (0.44) MEN1KMT2AALOX12NPC1RAB9A
SCHEMBL16771674 0.83 GAA (0.41) GAAMEN1KMT2AALOX12ALDH1A1
SCHEMBL16178154 0.82 ALOX12 (0.39) BMP1GAAMMP9MMP13MEN1
SCHEMBL18882667 0.82 SCN9A (0.37) BMP1GAAMEN1KMT2ASCN9A

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 BMP1 1993/4885GAA 1797/4885TLR8 3903/4885
US-11236078-B2 Heterocyclic inhibitors of the sodium channel SCN1B, TRPM6, SCN1A BMP1 2319/4885GAA 1714/4885TLR8 3948/4885

“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.