SCHEMBL2625857

SCHEMBL2625857

O=C(C(O)c1ccccc1Cl)N1CCN(c2ccc(S(=O)(=O)Nc3ccncn3)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.48
ROCK2 O75116 2/20 0.48
SCN8A Q9UQD0 5/20 0.43
SCN5A Q14524 4/20 0.43
SCN1A P35498 3/20 0.43
GRM4 Q14833 1/20 0.41
SCN9A Q15858 3/20 0.40
RET P07949 1/20 0.39
CHRM1 P11229 1/20 0.38
GAA P10253 3/20 0.38
KMT2A Q03164 1/20 0.38
ALOX15 P16050 2/20 0.37
USP2 O75604 1/20 0.37
LMNA P02545 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL10310681 1.00 CYP3A4 (0.48) CYP3A4ROCK2SCN8ASCN5ASCN1A
SCHEMBL2626080 0.86 SCN9A (0.38) SCN8ASCN5ASCN1ASCN9AGAA
SCHEMBL2626479 0.84 SCN1A (0.49) SCN8ASCN5ASCN1ASCN9AGAA
SCHEMBL2626499 0.83 SMN1; SMN2 (0.41) SCN5ASCN9ARETGAAKMT2A
SCHEMBL2625934 0.83 SMN1; SMN2 (0.49) CYP3A4SCN8AGRM4SCN9AGAA
SCHEMBL13828266 0.82 MAPT (0.45) CYP3A4SCN8AGAAKMT2AALOX15
SCHEMBL2626544 0.82 ALDH1A1 (0.56) GRM4GAAKMT2ALMNAALDH1A1
SCHEMBL2625952 0.82 SMN1; SMN2 (0.46) GAAKMT2AALOX15LMNAALDH1A1
SCHEMBL2626246 0.81 KMT2A (0.52) SCN8ASCN5ASCN1AGRM4SCN9A
SCHEMBL2626266 0.81 SCN8A (0.47) CYP3A4SCN8AGAAKMT2AALOX15

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 CYP3A4 2767/4885ROCK2 4452/4885SCN8A 62/4885
US-20080027067-A1 Heterocyclic derivatives as modulators of ion channels TRPV1, KCNJ2, KCNN3 CYP3A4 1710/4885ROCK2 3404/4885SCN8A 99/4885
US-20110082117-A1 PHENYL SULFONAMIDES AS MODULATORS OF ION CHANNELS TRPV1, KCNJ2, TRPA1 CYP3A4 2502/4885ROCK2 4204/4885SCN8A 78/4885
US-20130035310-A1 Piperidine and Piperazine Phenyl Sulfonamides as Modulators of Ion Channels TRPV1, TRPV5, TRPA1 CYP3A4 3575/4885ROCK2 3604/4885SCN8A 88/4885

“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.