SCHEMBL3163263

SCHEMBL3163263

COc1ccc(OC2CCCN(C(=O)c3ccc(S(=O)(=O)Nc4nccs4)cc3)C2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 5/20 0.54
ALDH1A1 P00352 6/20 0.51
KDM4E B2RXH2 1/20 0.51
SCN1A P35498 1/20 0.50
SCN8A Q9UQD0 1/20 0.50
PTPN1 P18031 1/20 0.49
PTPN11 Q06124 1/20 0.49
PTPN22 Q9Y2R2 1/20 0.49
CRHBP P24387 2/20 0.49
CRHR2 Q13324 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
KMT2A Q03164 2/20 0.47
HTT P42858 1/20 0.47
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 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
SCHEMBL3259044 0.93 CRHBP (0.50) PKMALDH1A1SCN1ASCN8APTPN1
SCHEMBL3159994 0.91 SCN3A (0.51) PKMALDH1A1SCN1ASCN8ACRHBP
SCHEMBL3169452 0.87 SCN8A (0.48) SCN1ASCN8ACRHBPCRHR2KMT2A
SCHEMBL3172220 0.86 ALDH1A1 (0.56) PKMALDH1A1KDM4ESCN1ASCN8A
SCHEMBL3154301 0.84 SCN9A (0.46) GCK
SCHEMBL3162801 0.83 SCN9A (0.47) PKMALDH1A1PTPN1PTPN11PTPN22
SCHEMBL3168748 0.83 SCN9A (0.46) SCN1ASCN8APTPN1PTPN11PTPN22
SCHEMBL3162537 0.83 PROKR1 (0.57) PKMALDH1A1KDM4ESCN1ASCN8A
SCHEMBL3159080 0.81 SCN3A (0.53) PKMSCN1ASCN8ACRHBPCRHR2
SCHEMBL3153864 0.80 SCN1A (0.52) PKMALDH1A1KDM4ESCN1ASCN8A

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 2728/4885ALDH1A1 3113/4885KDM4E 1973/4885
US-20090143358-A1 INHIBITORS OF ION CHANNELS TRPV1, TRPV5, TRPA1 PKM 2728/4885ALDH1A1 3113/4885KDM4E 1973/4885

“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.