SCHEMBL3068245

SCHEMBL3068245

O=S(=O)(CCc1ccc(OC(F)(F)F)cc1)c1ccc(S(=O)(=O)Nc2nccs2)cc1

nearest known ligand 0.76

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCN3A Q9NY46 5/20 0.76
PKM P14618 4/20 0.56
ALDH1A1 P00352 2/20 0.56
LMNA P02545 2/20 0.49
KDM4E B2RXH2 1/20 0.49
CYP2C9 P11712 1/20 0.49
EDNRA P25101 1/20 0.49
SLC6A4 P31645 1/20 0.49
ADRA1A P35348 1/20 0.49
PRMT6 Q96LA8 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
PTPN1 P18031 1/20 0.49
PTPN11 Q06124 1/20 0.49
PTPN22 Q9Y2R2 1/20 0.49
SCN9A Q15858 5/20 0.47
SCN5A Q14524 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL3073750 0.88 SCN3A (0.64) SCN3APKMALDH1A1LMNAKDM4E
SCHEMBL26530281 0.88 SCN3A (0.71) SCN3APKMALDH1A1LMNAKDM4E
SCHEMBL3063552 0.88 SCN3A (0.59) SCN3ASCN9ASCN5A
SCHEMBL3060426 0.86 SCN3A (1.00) SCN3APKMALDH1A1LMNAKDM4E
SCHEMBL3066948 0.85 SCN3A (0.66) SCN3APKMALDH1A1SCN9ASCN5A
SCHEMBL3073248 0.85 SCN3A (0.66) SCN3APKMALDH1A1LMNASMN1; SMN2
SCHEMBL3060376 0.84 SCN3A (0.70) SCN3APKMALDH1A1LMNASMN1; SMN2
SCHEMBL3063891 0.84 SCN3A (0.65) SCN3APKMALDH1A1LMNAKDM4E
SCHEMBL16273104 0.82 SCN3A (0.74) SCN3APKMALDH1A1LMNAKDM4E
SCHEMBL3061126 0.82 SCN3A (0.73) SCN3APKMALDH1A1LMNAKDM4E

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-20140357685-A1 Sodium Channel Inhibitors ICAGEN INC (US) 2014-12-04 US disclosed
US-8853250-B2 Sodium channel inhibitors ICAGEN, INC. (US) 2014-10-07 US disclosed
EP-2175728-B1 SODIUM CHANNEL INHIBITORS ICAGEN INC (US) 2014-09-10 EP disclosed
US-20100267782-A1 SODIUM CHANNEL INHIBITORS ICAGEN, INC (US) 2010-10-21 US disclosed
EP-2175728-A1 SODIUM CHANNEL INHIBITORS Icagen, Inc. (US) 2010-04-21 EP disclosed
WO-2009012241-A1 SODIUM CHANNEL INHIBITORS ICAGEN, INC. (US) 2009-01-22 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-20140357685-A1 Sodium Channel Inhibitors TRPV1, SCN1A, SCN2A SCN3A 8/4885PKM 2661/4885ALDH1A1 2837/4885
US-20100267782-A1 SODIUM CHANNEL INHIBITORS TRPV1, SCN1A, SCN2A SCN3A 8/4885PKM 2661/4885ALDH1A1 2837/4885

“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.