SCHEMBL2625950

SCHEMBL2625950

O=C1[C@@H](N2CCN(c3ccc(F)cc3)CC2)CCN1c1ccc(S(=O)(=O)Nc2nccs2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.52
KDM4E B2RXH2 2/20 0.48
MEN1 O00255 2/20 0.46
SCN9A Q15858 7/20 0.46
SCN1A P35498 2/20 0.46
SCN8A Q9UQD0 2/20 0.46
TDP1 Q9NUW8 3/20 0.46
POLB P06746 1/20 0.46
CTDSP1 Q9GZU7 1/20 0.46
ALDH1A1 P00352 2/20 0.46
LMNA P02545 2/20 0.46
METAP2 P50579 1/20 0.46
CYP2C9 P11712 1/20 0.46
EDNRA P25101 1/20 0.46
SLC6A4 P31645 1/20 0.46
ADRA1A P35348 1/20 0.46
PRMT6 Q96LA8 1/20 0.46
SCN5A Q14524 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SCN3A Q9NY46 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
SCHEMBL2626567 0.93 KMT2A (0.50) KMT2AKDM4ESCN9ASCN1ASCN8A
SCHEMBL2626368 0.92 KMT2A (0.52) KMT2AKDM4EMEN1SCN9ASCN1A
SCHEMBL2626414 0.91 LMNA (0.56) KMT2AKDM4ESCN9ASCN1ASCN8A
SCHEMBL2626385 0.91 KMT2A (0.48) KMT2AMEN1SCN9ASCN1ASCN8A
SCHEMBL2626139 0.90 SCN9A (0.53) KMT2AKDM4ESCN9ASCN1ASCN8A
SCHEMBL2626384 0.90 SCN3A (0.51) KMT2ASCN9ACYP2C9SCN5ASCN3A
SCHEMBL2626540 0.90 SCN9A (0.53) KMT2ASCN9AMETAP2SCN5A
SCHEMBL2626565 0.90 SCN9A (0.54) KMT2ASCN9ASCN5A
SCHEMBL2626345 0.89 KDM4E (0.51) KMT2AKDM4EMEN1SCN9ASCN1A
SCHEMBL2626572 0.89 SCN9A (0.49) KMT2ASCN9ASCN1ASCN8AMETAP2

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 13 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-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 (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-20120178713-A1 PHENYL SULPHONAMIDES AS MODULATORS OF ION CHANNELS TRPV1, TRPA1, TRPV5 KMT2A 1777/4885KDM4E 1760/4885MEN1 4592/4885
US-20080027067-A1 Heterocyclic derivatives as modulators of ion channels TRPV1, KCNJ2, KCNN3 KMT2A 2855/4885KDM4E 2958/4885MEN1 2498/4885
US-20110082117-A1 PHENYL SULFONAMIDES AS MODULATORS OF ION CHANNELS TRPV1, KCNJ2, TRPA1 KMT2A 1452/4885KDM4E 1801/4885MEN1 4203/4885

“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.