SCHEMBL18983136

SCHEMBL18983136

O=S(=O)(Nc1nccs1)c1cc(Cl)c(NCCCCN2CCCN(CCO)CC2)cc1F

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 13/20 0.65
SCN5A Q14524 11/20 0.65
CYP3A4 P08684 9/20 0.62
SCN1A P35498 2/20 0.62
SCN8A Q9UQD0 2/20 0.62
NR1I2 O75469 1/20 0.60
ADRA2A P08913 1/20 0.60
CYP2D6 P10635 1/20 0.60
ADRA2B P18089 1/20 0.60
ADRA1D P25100 1/20 0.60
HTR2B P41595 1/20 0.60

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
SCHEMBL20167583 0.89 SCN9A (0.65) SCN9ASCN5ACYP3A4SCN1ASCN8A
SCHEMBL30626774 0.89 SCN9A (0.65) SCN9ASCN5ACYP3A4SCN1ASCN8A
SCHEMBL20167434 0.87 SCN9A (0.68) SCN9ASCN5ACYP3A4SCN1ASCN8A
SCHEMBL20166766 0.87 SCN9A (0.72) SCN9ASCN5ACYP3A4SCN1A
SCHEMBL20167825 0.86 SCN9A (0.64) SCN9ASCN5ACYP3A4SCN1ASCN8A
SCHEMBL20168224 0.85 SCN9A (0.65) SCN9ASCN5ACYP3A4SCN1ASCN8A
SCHEMBL20167191 0.85 SCN9A (0.65) SCN9ASCN5ACYP3A4SCN1ASCN8A
SCHEMBL20167470 0.85 SCN9A (0.70) SCN9ASCN5ACYP3A4SCN1A
SCHEMBL20167337 0.84 SCN9A (0.68) SCN9ASCN5ACYP3A4SCN1A
SCHEMBL20167858 0.84 SCN5A (0.65) SCN9ASCN5ACYP3A4SCN1A

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3390374-B1 HYDROXYALKYLAMINE- AND HYDROXYCYCLOALKYLAMINE-SUBSTITUTED DIAMINE-ARYLSULFONAMIDE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS MERCK SHARP & DOHME (US) 2020-08-26 EP claimed
US-20190233406-A1 HYDROXYALKYLAMINE- and HYDROXYCYCLOALKYLAMINE-SUBSTITUTED DIAMINE-ARYLSULFONAMIDE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS MERCK SHARP & DOHME CORP. (US) 2019-08-01 US claimed
US-10221167-B2 Hydroxyalkylamine- and hydroxycycloalkylamine-substituted diamine-arylsulfonamide compounds with selective activity in voltage-gated sodium channels MERCK SHARP & DOHME CORP. (US) 2019-03-05 US claimed
EP-3390374-A1 HYDROXYALKYLAMINE- AND HYDROXYCYCLOALKYLAMINE-SUBSTITUTED DIAMINE-ARYLSULFONAMIDE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS Merck Sharp & Dohme Corp. (US) 2018-10-24 EP claimed
US-20170174674-A1 HYDROXYALKYLAMINE- and HYDROXYCYCLOALKYLAMINE-SUBSTITUTED DIAMINE-ARYLSULFONAMIDE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS MERCK SHARP & DOHME CORP. (US) 2017-06-22 US claimed
WO-2017106226-A1 HYDROXYALKYLAMINE- AND HYDROXYCYCLOALKYLAMINE-SUBSTITUTED DIAMINE-ARYLSULFONAMIDE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS MERCK SHARP & DOHME CORP. (US) 2017-06-22 WO claimed
EP-3390374-B1 HYDROXYALKYLAMINE- AND HYDROXYCYCLOALKYLAMINE-SUBSTITUTED DIAMINE-ARYLSULFONAMIDE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS MERCK SHARP & DOHME (US) 2020-08-26 EP disclosed
US-20190233406-A1 HYDROXYALKYLAMINE- and HYDROXYCYCLOALKYLAMINE-SUBSTITUTED DIAMINE-ARYLSULFONAMIDE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS MERCK SHARP & DOHME CORP. (US) 2019-08-01 US disclosed
US-20190233406-A1 HYDROXYALKYLAMINE- and HYDROXYCYCLOALKYLAMINE-SUBSTITUTED DIAMINE-ARYLSULFONAMIDE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS MERCK SHARP & DOHME CORP. (US) 2019-08-01 US disclosed
US-10221167-B2 Hydroxyalkylamine- and hydroxycycloalkylamine-substituted diamine-arylsulfonamide compounds with selective activity in voltage-gated sodium channels MERCK SHARP & DOHME CORP. (US) 2019-03-05 US disclosed
US-10221167-B2 Hydroxyalkylamine- and hydroxycycloalkylamine-substituted diamine-arylsulfonamide compounds with selective activity in voltage-gated sodium channels MERCK SHARP & DOHME CORP. (US) 2019-03-05 US disclosed
EP-3390374-A1 HYDROXYALKYLAMINE- AND HYDROXYCYCLOALKYLAMINE-SUBSTITUTED DIAMINE-ARYLSULFONAMIDE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS Merck Sharp & Dohme Corp. (US) 2018-10-24 EP disclosed
US-20170174674-A1 HYDROXYALKYLAMINE- and HYDROXYCYCLOALKYLAMINE-SUBSTITUTED DIAMINE-ARYLSULFONAMIDE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS MERCK SHARP & DOHME CORP. (US) 2017-06-22 US disclosed
WO-2017106226-A1 HYDROXYALKYLAMINE- AND HYDROXYCYCLOALKYLAMINE-SUBSTITUTED DIAMINE-ARYLSULFONAMIDE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS MERCK SHARP & DOHME CORP. (US) 2017-06-22 WO disclosed
US-20170174674-A1 HYDROXYALKYLAMINE- and HYDROXYCYCLOALKYLAMINE-SUBSTITUTED DIAMINE-ARYLSULFONAMIDE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS MERCK SHARP & DOHME CORP. (US) 2017-06-22 US disclosed
US-20170174674-A1 HYDROXYALKYLAMINE- and HYDROXYCYCLOALKYLAMINE-SUBSTITUTED DIAMINE-ARYLSULFONAMIDE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS MERCK SHARP & DOHME CORP. (US) 2017-06-22 US 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 (3 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-20170174674-A1 HYDROXYALKYLAMINE- and HYDROXYCYCLOALKYLAMINE-SUBSTITUTED DIAMINE-ARYLSULFONAMIDE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS SCN7A, TRPV1, TRPA1 SCN9A 8/4885SCN5A 36/4885CYP3A4 3519/4885
US-20190233406-A1 HYDROXYALKYLAMINE- and HYDROXYCYCLOALKYLAMINE-SUBSTITUTED DIAMINE-ARYLSULFONAMIDE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS SCN7A, TRPV1, TRPA1 SCN9A 8/4885SCN5A 36/4885CYP3A4 3519/4885
US-10221167-B2 Hydroxyalkylamine- and hydroxycycloalkylamine-substituted diamine-arylsulfonamide compounds with selective activity in voltage-gated sodium channels SCN7A, TRPV1, TRPA1 SCN9A 8/4885SCN5A 36/4885CYP3A4 3519/4885

“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.