SCHEMBL3162912

SCHEMBL3162912

COc1cccc(C2(NC(=O)c3ccc(S(=O)(=O)Nc4nccs4)cc3)CC2)c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PKM P14618 4/20 0.52
PTPN1 P18031 1/20 0.51
PTPN11 Q06124 1/20 0.51
PTPN22 Q9Y2R2 1/20 0.51
MEN1 O00255 6/20 0.49
KMT2A Q03164 6/20 0.49
SCN3A Q9NY46 2/20 0.49
POLB P06746 1/20 0.49
MAPK1 P28482 1/20 0.49
SCN9A Q15858 1/20 0.49
ALOX12 P18054 1/20 0.49
RXFP1 Q9HBX9 1/20 0.48
ALDH1A1 P00352 5/20 0.48
ROCK2 O75116 1/20 0.47
ROCK1 Q13464 1/20 0.47
CA1 P00915 2/20 0.47
HSD17B1 P14061 1/20 0.47
HSD17B2 P37059 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
SCHEMBL3163155 0.89 PKM (0.61) PKMPTPN1PTPN11PTPN22MEN1
SCHEMBL3259319 0.86 LMNA (0.53) MEN1KMT2ASCN3ASCN9AALOX12
SCHEMBL3161154 0.86 SCN3A (0.62) PKMMEN1KMT2ASCN3APOLB
SCHEMBL3158690 0.83 SCN3A (0.54) PKMPTPN1PTPN11PTPN22MEN1
SCHEMBL3158840 0.80 LMNA (0.63) MEN1KMT2ASCN3ASCN9ARXFP1
SCHEMBL3158952 0.79 SCN3A (0.73) PKMPTPN1PTPN11PTPN22SCN3A
SCHEMBL13212195 0.78 MEN1 (0.66) PKMPTPN1PTPN11PTPN22MEN1
SCHEMBL3168911 0.78 PTPN1 (0.63) PKMPTPN1PTPN11PTPN22MEN1
SCHEMBL3165810 0.78 CA1 (0.63) PKMPTPN1PTPN11PTPN22MEN1
SCHEMBL15116291 0.75 PTPN1 (0.82) PKMPTPN1PTPN11PTPN22MEN1

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 PKM 2728/4885PTPN1 814/4885PTPN11 1044/4885
US-20090143358-A1 INHIBITORS OF ION CHANNELS TRPV1, TRPV5, TRPA1 PKM 2728/4885PTPN1 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.