SCHEMBL2625908

SCHEMBL2625908

O=C1[C@@H](N2Cc3ccccc3C2)CCN1c1ccc(S(=O)(=O)Nc2nccs2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.55
SCN8A Q9UQD0 4/20 0.49
ALDH1A1 P00352 3/20 0.49
MEN1 O00255 2/20 0.49
SCN1A P35498 2/20 0.49
LMNA P02545 3/20 0.49
TDP1 Q9NUW8 2/20 0.49
KDM4E B2RXH2 1/20 0.49
CYP2C9 P11712 1/20 0.49
EDNRA P25101 1/20 0.49
SLC6A4 P31645 1/20 0.49
ADRA1A P35348 1/20 0.49
PRMT6 Q96LA8 1/20 0.49
SCN9A Q15858 7/20 0.48
SMN1; SMN2 Q16637 1/20 0.46
SCN5A Q14524 1/20 0.45
SCN1B Q07699 1/20 0.45
USP2 O75604 1/20 0.45
POLB P06746 1/20 0.45
HTT P42858 1/20 0.45

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
SCHEMBL2626281 0.94 KMT2A (0.52) KMT2ASCN8AALDH1A1MEN1SCN1A
SCHEMBL9939809 0.89 KMT2A (0.58) KMT2ASCN8AALDH1A1MEN1SCN1A
SCHEMBL9939956 0.89 KMT2A (0.58) KMT2ASCN8AALDH1A1MEN1SCN1A
SCHEMBL2626368 0.88 KMT2A (0.52) KMT2ASCN8AALDH1A1MEN1SCN1A
SCHEMBL826333 0.87 SCN9A (0.54) KMT2ASCN8AALDH1A1MEN1SCN1A
SCHEMBL826514 0.87 SCN9A (0.54) KMT2ASCN8AALDH1A1MEN1SCN1A
SCHEMBL2626130 0.87 KMT2A (0.52) KMT2ASCN8AALDH1A1MEN1SCN1A
SCHEMBL12710669 0.86 KMT2A (0.55) KMT2ASCN8AALDH1A1MEN1SCN1A
SCHEMBL1576667 0.86 KMT2A (0.55) KMT2ASCN8AALDH1A1MEN1SCN1A
SCHEMBL1576669 0.86 KMT2A (0.55) KMT2ASCN8AALDH1A1MEN1SCN1A

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 KMT2A 1777/4885SCN8A 62/4885ALDH1A1 2795/4885
US-20080027067-A1 Heterocyclic derivatives as modulators of ion channels TRPV1, KCNJ2, KCNN3 KMT2A 2855/4885SCN8A 99/4885ALDH1A1 1645/4885
US-20110082117-A1 PHENYL SULFONAMIDES AS MODULATORS OF ION CHANNELS TRPV1, KCNJ2, TRPA1 KMT2A 1452/4885SCN8A 78/4885ALDH1A1 2531/4885
US-20130035310-A1 Piperidine and Piperazine Phenyl Sulfonamides as Modulators of Ion Channels TRPV1, TRPV5, TRPA1 KMT2A 1129/4885SCN8A 88/4885ALDH1A1 2251/4885

“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.