SCHEMBL3158690

SCHEMBL3158690

COc1cccc(CC2(NC(=O)c3ccc(S(=O)(=O)Nc4nccs4)cc3)CC2)c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCN3A Q9NY46 5/20 0.54
PTPN1 P18031 1/20 0.53
PTPN11 Q06124 1/20 0.53
PTPN22 Q9Y2R2 1/20 0.53
PKM P14618 4/20 0.50
SCN1A P35498 1/20 0.49
SCN8A Q9UQD0 1/20 0.49
ALOX12 P18054 2/20 0.49
SCN9A Q15858 1/20 0.47
ALDH1A1 P00352 3/20 0.46
RXFP1 Q9HBX9 1/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
MAPK1 P28482 2/20 0.46
POLB P06746 1/20 0.46
HSD17B1 P14061 1/20 0.45
HSD17B2 P37059 1/20 0.45
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.45

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
SCHEMBL3168911 0.90 PTPN1 (0.63) SCN3APTPN1PTPN11PTPN22PKM
SCHEMBL14777740 0.89 SCN3A (0.56) SCN3APTPN1PTPN11PTPN22PKM
SCHEMBL3258616 0.87 SCN3A (0.56) SCN3APKMSCN1ASCN8AALOX12
SCHEMBL3158952 0.84 SCN3A (0.73) SCN3APTPN1PTPN11PTPN22PKM
SCHEMBL3162912 0.83 PKM (0.52) SCN3APTPN1PTPN11PTPN22PKM
SCHEMBL3153389 0.83 ALDH1A1 (0.54) SCN3APTPN1PTPN11PTPN22PKM
SCHEMBL3165810 0.82 CA1 (0.63) SCN3APTPN1PTPN11PTPN22PKM
SCHEMBL3259307 0.81 LMNA (0.60) SCN3APTPN1PTPN11PTPN22ALOX12
SCHEMBL3258222 0.78 SCN3A (0.56) SCN3ASCN1ASCN8AALOX12SCN9A
SCHEMBL3163155 0.78 PKM (0.61) SCN3APTPN1PTPN11PTPN22PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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-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.