SCHEMBL1576516

SCHEMBL1576516

O=C(O)NC1CN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)C1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
PTGS2 P35354 1/20 0.53
SCN8A Q9UQD0 1/20 0.53
KMT2A Q03164 4/20 0.53
ALDH1A1 P00352 3/20 0.52
LMNA P02545 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
KDM4E B2RXH2 2/20 0.52
CYP2C9 P11712 1/20 0.52
EDNRA P25101 1/20 0.52
SLC6A4 P31645 1/20 0.52
ADRA1A P35348 1/20 0.52
PRMT6 Q96LA8 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
MEN1 O00255 3/20 0.52
CYP1A2 P05177 1/20 0.51
TSHR P16473 2/20 0.51
MAPK1 P28482 1/20 0.51
SCN3A Q9NY46 4/20 0.49

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
SCHEMBL1576674 0.89 SCN8A (0.56) CA1CA2PTGS2SCN8AKMT2A
SCHEMBL2625954 0.89 SCN3A (0.57) CA1SCN8AKMT2AALDH1A1LMNA
SCHEMBL1576662 0.85 ALDH1A1 (0.49) CA1CA2PTGS2SCN8AKMT2A
SCHEMBL2625897 0.83 LMNA (0.57) SCN8AKMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL27750454 0.83 SCN8A (0.55) SCN8AKMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL1576700 0.82 ALDH1A1 (0.61) CA1CA2PTGS2SCN8AKMT2A
SCHEMBL1576679 0.82 SCN8A (0.52) SCN8AKMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL13150208 0.82 ALDH1A1 (0.58) CA1CA2PTGS2SCN8AKMT2A
SCHEMBL1576536 0.81 SCN8A (0.56) CA1CA2PTGS2SCN8AKMT2A
SCHEMBL1576302 0.80 CA1 (0.49) CA1CA2PTGS2SCN8AKMT2A

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 10 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-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-8163720-B2 Pyrrolidinyl phenyl sulphonamides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-04-24 US disclosed
EP-2316829-A1 Heterocyclic derivatives as modulators of ion channels Vertex Pharmaceuticals Incorporated (US) 2011-05-04 EP disclosed
EP-2308872-A1 Heterocyclic derivatives as modulators of ion channels Vertex Pharmaceuticals Incorporated (US) 2011-04-13 EP 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-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 CA1 1001/4885CA2 153/4885PTGS2 347/4885
US-20080027067-A1 Heterocyclic derivatives as modulators of ion channels TRPV1, KCNJ2, KCNN3 CA1 1084/4885CA2 192/4885PTGS2 605/4885
US-20110082117-A1 PHENYL SULFONAMIDES AS MODULATORS OF ION CHANNELS TRPV1, KCNJ2, TRPA1 CA1 1156/4885CA2 164/4885PTGS2 589/4885
US-20130035310-A1 Piperidine and Piperazine Phenyl Sulfonamides as Modulators of Ion Channels TRPV1, TRPV5, TRPA1 CA1 1659/4885CA2 174/4885PTGS2 235/4885

“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.