SCHEMBL3169729

SCHEMBL3169729

COc1ccc(CC2CCCN2C(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 4/20 0.58
PTPN1 P18031 1/20 0.57
PTPN11 Q06124 1/20 0.57
PTPN22 Q9Y2R2 1/20 0.57
SCN1A P35498 1/20 0.51
SCN8A Q9UQD0 1/20 0.51
SCN9A Q15858 2/20 0.49
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 1/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 1/20 0.48
SCN3A Q9NY46 2/20 0.47
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
POLB P06746 2/20 0.47
MAPT P10636 2/20 0.47
MCL1 Q07820 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
USP2 O75604 1/20 0.47
ALOX12 P18054 1/20 0.46

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
SCHEMBL3167052 0.90 SCN1A (0.54) PKMPTPN1PTPN11PTPN22SCN1A
SCHEMBL3169013 0.89 SCN9A (0.59) PKMSCN1ASCN8ASCN9AALDH1A1
SCHEMBL3172220 0.85 ALDH1A1 (0.56) PKMPTPN1PTPN11PTPN22SCN1A
SCHEMBL3169619 0.83 SCN9A (0.54) PKMSCN1ASCN8ASCN9AALDH1A1
SCHEMBL3154164 0.82 SCN9A (0.51) PKMPTPN1PTPN11PTPN22SCN1A
SCHEMBL3171643 0.81 SCN9A (0.54) PKMSCN1ASCN8ASCN9AALDH1A1
SCHEMBL3166856 0.80 SCN9A (0.53) PKMSCN8ASCN9AALDH1A1SCN3A
SCHEMBL3168484 0.80 SCN9A (0.55) PKMSCN1ASCN8ASCN9AALDH1A1
SCHEMBL3166970 0.79 SCN9A (0.60) PKMSCN1ASCN8ASCN9AALDH1A1
SCHEMBL3163263 0.79 PKM (0.54) PKMPTPN1PTPN11PTPN22SCN1A

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-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
EP-1995241-B1 Inhibitors of ion channels ICAGEN INC (US) 2010-03-17 EP 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-20130072471-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.