SCHEMBL3164602

SCHEMBL3164602

O=C(c1ccccc1)C1CCCN(C(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)C1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.55
TSHR P16473 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
SCN9A Q15858 1/20 0.55
SCN3A Q9NY46 3/20 0.50
CRHBP P24387 1/20 0.50
CRHR2 Q13324 1/20 0.50
ALDH1A1 P00352 6/20 0.49
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
HSP90AA1 P07900 1/20 0.48
MAPT P10636 1/20 0.48
PKM P14618 1/20 0.48
CA1 P00915 1/20 0.48
LMNA P02545 2/20 0.47
PLA2G1B P04054 1/20 0.46
ATG4B Q9Y4P1 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
SCHEMBL3168432 0.84 SCN9A (0.58) MAPK1TSHRSMN1; SMN2SCN9ASCN3A
SCHEMBL3159994 0.84 SCN3A (0.51) MAPK1TSHRSMN1; SMN2SCN9ASCN3A
SCHEMBL3262317 0.82 ALDH1A1 (0.54) MAPK1TSHRSMN1; SMN2SCN9ASCN3A
SCHEMBL3163044 0.82 KMT2A (0.51) MAPK1TSHRSMN1; SMN2SCN9ASCN3A
SCHEMBL3159080 0.82 SCN3A (0.53) MAPK1TSHRSMN1; SMN2SCN9ASCN3A
SCHEMBL3159054 0.80 SCN3A (0.57) SCN9ASCN3AALDH1A1KMT2AMEN1
SCHEMBL4180139 0.80 ALDH1A1 (0.47) MAPK1SMN1; SMN2CRHBPCRHR2ALDH1A1
SCHEMBL3169856 0.79 SCN3A (0.55) SCN9ASCN3AALDH1A1KMT2AMEN1
SCHEMBL3168742 0.79 SCN9A (0.69) MAPK1TSHRSMN1; SMN2SCN9ASCN3A
SCHEMBL21926376 0.78 ALDH1A1 (0.50) MAPK1ALDH1A1KMT2AMEN1HSP90AA1

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 MAPK1 1454/4885TSHR 4222/4885SMN1; SMN2 445/4885
US-20090143358-A1 INHIBITORS OF ION CHANNELS TRPV1, TRPV5, TRPA1 MAPK1 1454/4885TSHR 4222/4885SMN1; SMN2 445/4885

“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.