SCHEMBL2626467

SCHEMBL2626467

O=S(=O)(Nc1nccs1)c1ccc(N2CCN(c3ccccc3)CC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.59
LMNA P02545 2/20 0.59
KDM4E B2RXH2 2/20 0.59
TDP1 Q9NUW8 2/20 0.59
CYP2C9 P11712 1/20 0.59
EDNRA P25101 1/20 0.59
SLC6A4 P31645 1/20 0.59
ADRA1A P35348 1/20 0.59
PRMT6 Q96LA8 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
SCN9A Q15858 4/20 0.59
SCN8A Q9UQD0 3/20 0.58
SCN3A Q9NY46 4/20 0.56
KMT2A Q03164 2/20 0.56
PKM P14618 2/20 0.55
POLB P06746 1/20 0.55
MAPT P10636 1/20 0.55
PIK3R1 P27986 1/20 0.55
PIK3CA P42336 1/20 0.55
MTOR P42345 1/20 0.55

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
SCHEMBL14683655 0.90 ALDH1A1 (0.62) ALDH1A1LMNAKDM4ETDP1CYP2C9
SCHEMBL2626421 0.89 KMT2A (0.60) ALDH1A1LMNAKDM4ETDP1CYP2C9
SCHEMBL2626431 0.87 SCN9A (0.52) ALDH1A1LMNAKDM4ETDP1CYP2C9
SCHEMBL2626134 0.87 SCN8A (0.60) ALDH1A1LMNAKDM4ETDP1CYP2C9
SCHEMBL14683716 0.86 ALDH1A1 (0.58) ALDH1A1LMNAKDM4ETDP1CYP2C9
SCHEMBL1576448 0.86 ALDH1A1 (0.58) ALDH1A1LMNAKDM4ETDP1CYP2C9
SCHEMBL14683446 0.85 SCN3A (0.61) LMNAKDM4ETDP1SMN1; SMN2SCN9A
SCHEMBL2626368 0.85 KMT2A (0.52) ALDH1A1LMNAKDM4ETDP1CYP2C9
SCHEMBL13821436 0.84 SCN3A (0.55) ALDH1A1LMNAKDM4ETDP1SCN9A
SCHEMBL12710260 0.84 SCN3A (0.52) ALDH1A1LMNAKDM4ETDP1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8586589-B2 Piperidine and piperazine phenyl sulfonamides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-11-19 US disclosed
US-20130035310-A1 Piperidine and Piperazine Phenyl Sulfonamides as Modulators of Ion Channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-02-07 US disclosed
US-20130035310-A1 Piperidine and Piperazine Phenyl Sulfonamides as Modulators of Ion Channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-02-07 US disclosed
US-8309587-B2 Piperidine and piperazine phenyl sulphonamides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-11-13 US disclosed
US-8309587-B2 Piperidine and piperazine phenyl sulphonamides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-11-13 US disclosed
US-20120178713-A1 PHENYL SULPHONAMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-12 US disclosed
US-20120178713-A1 PHENYL SULPHONAMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-12 US disclosed
US-8163720-B2 Pyrrolidinyl phenyl sulphonamides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-04-24 US disclosed
US-8163720-B2 Pyrrolidinyl phenyl sulphonamides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-04-24 US disclosed
US-20110082117-A1 PHENYL SULFONAMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-04-07 US disclosed
US-20110082117-A1 PHENYL SULFONAMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-04-07 US disclosed
US-7799822-B2 Phenyl sulfonamides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-09-21 US disclosed
US-7799822-B2 Phenyl sulfonamides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-09-21 US disclosed
US-20080027067-A1 Heterocyclic derivatives as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED 2008-01-31 US disclosed
US-20080027067-A1 Heterocyclic derivatives as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED 2008-01-31 US 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 (4 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-20120178713-A1 PHENYL SULPHONAMIDES AS MODULATORS OF ION CHANNELS TRPV1, TRPA1, TRPV5 ALDH1A1 2795/4885LMNA 4119/4885KDM4E 1760/4885
US-20080027067-A1 Heterocyclic derivatives as modulators of ion channels TRPV1, KCNJ2, KCNN3 ALDH1A1 1645/4885LMNA 2366/4885KDM4E 2958/4885
US-20110082117-A1 PHENYL SULFONAMIDES AS MODULATORS OF ION CHANNELS TRPV1, KCNJ2, TRPA1 ALDH1A1 2531/4885LMNA 3348/4885KDM4E 1801/4885
US-20130035310-A1 Piperidine and Piperazine Phenyl Sulfonamides as Modulators of Ion Channels TRPV1, TRPV5, TRPA1 ALDH1A1 2251/4885LMNA 4008/4885KDM4E 1716/4885

“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.