SCHEMBL2626679

SCHEMBL2626679

O=C1[C@@H](N2CCCc3ccccc32)CCN1c1ccc(S(=O)(=O)Nc2nccs2)cc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 12/20 0.52
ROCK2 O75116 2/20 0.51
KMT2A Q03164 2/20 0.50
SCN8A Q9UQD0 3/20 0.46
SCN1A P35498 2/20 0.46
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 1/20 0.46
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
CYP2C9 P11712 1/20 0.44
EDNRA P25101 1/20 0.44
SLC6A4 P31645 1/20 0.44
ADRA1A P35348 1/20 0.44
PRMT6 Q96LA8 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
SCN1B Q07699 1/20 0.43
SCN5A Q14524 1/20 0.43

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
SCHEMBL2625918 1.00 SCN9A (0.52) SCN9AROCK2KMT2ASCN8ASCN1A
SCHEMBL2626065 0.95 KMT2A (0.52) SCN9AROCK2KMT2ASCN8ASCN1A
SCHEMBL1576703 0.95 KMT2A (0.52) SCN9AROCK2KMT2ASCN8ASCN1A
SCHEMBL1576529 0.95 KMT2A (0.52) SCN9AROCK2KMT2ASCN8ASCN1A
SCHEMBL2626690 0.89 SCN9A (0.47) SCN9AKMT2ASCN8AALDH1A1MEN1
SCHEMBL2626006 0.89 SCN9A (0.47) SCN9AKMT2ASCN8AALDH1A1MEN1
SCHEMBL10310764 0.89 SCN9A (0.49) SCN9AKMT2ASCN5A
SCHEMBL2626688 0.89 SCN9A (0.49) SCN9AKMT2ASCN5A
SCHEMBL1576275 0.89 SCN9A (0.52) SCN9AKMT2ASCN8ASCN1ALMNA
SCHEMBL1576868 0.89 SCN9A (0.52) SCN9AKMT2ASCN8ASCN1ALMNA

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 11 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-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 (3 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-20080027067-A1 Heterocyclic derivatives as modulators of ion channels TRPV1, KCNJ2, KCNN3 SCN9A 125/4885ROCK2 3404/4885KMT2A 2855/4885
US-20110082117-A1 PHENYL SULFONAMIDES AS MODULATORS OF ION CHANNELS TRPV1, KCNJ2, TRPA1 SCN9A 104/4885ROCK2 4204/4885KMT2A 1452/4885
US-20130035310-A1 Piperidine and Piperazine Phenyl Sulfonamides as Modulators of Ion Channels TRPV1, TRPV5, TRPA1 SCN9A 131/4885ROCK2 3604/4885KMT2A 1129/4885

“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.