SCHEMBL1576879

SCHEMBL1576879

O=S(=O)(Nc1nccs1)c1ccc(N2CCC(O)CC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.55
ALDH1A1 P00352 6/20 0.55
LMNA P02545 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
KDM4E B2RXH2 1/20 0.55
CYP2C9 P11712 1/20 0.55
EDNRA P25101 1/20 0.55
SLC6A4 P31645 1/20 0.55
ADRA1A P35348 1/20 0.55
PRMT6 Q96LA8 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
CYP1A2 P05177 1/20 0.54
TSHR P16473 1/20 0.54
MAPK1 P28482 1/20 0.54
SCN8A Q9UQD0 2/20 0.53
MEN1 O00255 2/20 0.52
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
PTGS2 P35354 1/20 0.51
PKM P14618 4/20 0.50

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
SCHEMBL1576788 0.88 ALDH1A1 (0.59) KMT2AALDH1A1LMNASMN1; SMN2KDM4E
SCHEMBL14683655 0.86 ALDH1A1 (0.62) KMT2AALDH1A1LMNASMN1; SMN2KDM4E
SCHEMBL1576674 0.85 SCN8A (0.56) KMT2AALDH1A1LMNASMN1; SMN2KDM4E
SCHEMBL2626467 0.84 ALDH1A1 (0.59) KMT2AALDH1A1LMNASMN1; SMN2KDM4E
SCHEMBL2626627 0.84 SCN8A (0.56) KMT2AALDH1A1LMNASMN1; SMN2KDM4E
SCHEMBL1576536 0.83 SCN8A (0.56) KMT2AALDH1A1LMNASMN1; SMN2KDM4E
SCHEMBL2626421 0.83 KMT2A (0.60) KMT2AALDH1A1LMNASMN1; SMN2KDM4E
SCHEMBL1576448 0.83 ALDH1A1 (0.58) KMT2AALDH1A1LMNASMN1; SMN2KDM4E
SCHEMBL2632901 0.82 SCN8A (0.55) KMT2AALDH1A1LMNASMN1; SMN2KDM4E
SCHEMBL1576664 0.81 SCN8A (0.53) KMT2AALDH1A1LMNASMN1; SMN2KDM4E

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 12 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
EP-1963281-A2 HETEROCYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS Vertex Pharmaceuticals, Inc. (US) 2008-09-03 EP disclosed
US-20080027067-A1 Heterocyclic derivatives as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED 2008-01-31 US disclosed
WO-2007075895-A2 HETEROCYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-07-05 WO 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 1777/4885ALDH1A1 2795/4885LMNA 4119/4885
US-20080027067-A1 Heterocyclic derivatives as modulators of ion channels TRPV1, KCNJ2, KCNN3 KMT2A 2855/4885ALDH1A1 1645/4885LMNA 2366/4885
US-20110082117-A1 PHENYL SULFONAMIDES AS MODULATORS OF ION CHANNELS TRPV1, KCNJ2, TRPA1 KMT2A 1452/4885ALDH1A1 2531/4885LMNA 3348/4885
US-20130035310-A1 Piperidine and Piperazine Phenyl Sulfonamides as Modulators of Ion Channels TRPV1, TRPV5, TRPA1 KMT2A 1129/4885ALDH1A1 2251/4885LMNA 4008/4885

“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.