SCHEMBL3158952

SCHEMBL3158952

COc1cccc(CNC(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN3A Q9NY46 4/20 0.73
PTPN1 P18031 1/20 0.58
PTPN11 Q06124 1/20 0.58
PTPN22 Q9Y2R2 1/20 0.58
PRKACA P17612 2/20 0.57
PRKX P51817 2/20 0.57
PRKCQ Q04759 2/20 0.57
ROCK1 Q13464 2/20 0.57
ROCK2 O75116 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
GSK3A P49840 1/20 0.57
GSK3B P49841 1/20 0.57
CLK4 Q9HAZ1 1/20 0.57
ALDH1A1 P00352 2/20 0.56
GAA P10253 1/20 0.56
ALOX12 P18054 1/20 0.55
PKM P14618 3/20 0.55
MMP13 P45452 2/20 0.54

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
SCHEMBL3165810 0.91 CA1 (0.63) SCN3APTPN1PTPN11PTPN22ALDH1A1
SCHEMBL3173751 0.90 SCN3A (0.78) SCN3APTPN1PTPN11PTPN22ALDH1A1
SCHEMBL3165547 0.89 SCN3A (0.71) SCN3APTPN1PTPN11PTPN22ALDH1A1
SCHEMBL3165768 0.88 SCN3A (0.77) SCN3APTPN1PTPN11PTPN22ALDH1A1
SCHEMBL3168326 0.88 SCN3A (0.80) SCN3AROCK1ROCK2SCN1ASCN8A
SCHEMBL3160427 0.87 SCN3A (0.77) SCN3APTPN1PTPN11PTPN22ALDH1A1
SCHEMBL3168852 0.85 SCN3A (0.77) SCN3AALOX12SCN1ASCN8A
SCHEMBL3162566 0.85 SCN3A (0.77) SCN3AALDH1A1ALOX12PKMSCN1A
SCHEMBL3161304 0.85 SCN3A (1.00) SCN3ACYP3A4ALDH1A1PKM
SCHEMBL3169650 0.85 SCN3A (0.83) SCN3ACYP3A4ALDH1A1PKM

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-8741934-B2 Inhibitors of ion channels PFIZER LIMITED (GB) 2014-06-03 US disclosed
US-20130072471-A1 Inhibitors of Ion Channels MARRON BRIAN EDWARD (US) 2013-03-21 US disclosed
US-8357711-B2 Heterocyclic sulfonamides as inhibitors of ion channels PFIZER LIMITED (GB) 2013-01-22 US disclosed
EP-1995241-B1 Inhibitors of ion channels ICAGEN INC (US) 2010-03-17 EP disclosed
US-20090143358-A1 INHIBITORS OF ION CHANNELS ICAGEN, INC. (US) 2009-06-04 US disclosed
EP-1995241-A1 Inhibitors of ion channels ICAgen, Incorporated (US) 2008-11-26 EP 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-20130072471-A1 Inhibitors of Ion Channels TRPV1, TRPV5, TRPA1 SCN3A 13/4885PTPN1 814/4885PTPN11 1044/4885
US-20090143358-A1 INHIBITORS OF ION CHANNELS TRPV1, TRPV5, TRPA1 SCN3A 13/4885PTPN1 814/4885PTPN11 1044/4885

“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.