SCHEMBL1576701

SCHEMBL1576701

O=C1C=CC(=O)N1.O=S(=O)(Nc1nccs1)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.58
LMNA P02545 2/20 0.58
KDM4E B2RXH2 1/20 0.58
CYP2C9 P11712 1/20 0.58
EDNRA P25101 1/20 0.58
SLC6A4 P31645 1/20 0.58
ADRA1A P35348 1/20 0.58
PRMT6 Q96LA8 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
CTDSP1 Q9GZU7 1/20 0.55
CYP1A2 P05177 1/20 0.53
PKM P14618 4/20 0.53
ATM Q13315 1/20 0.53
SCN3A Q9NY46 3/20 0.53
SCN1A P35498 2/20 0.53
SCN5A Q14524 2/20 0.53
SCN9A Q15858 2/20 0.53
SCN8A Q9UQD0 2/20 0.53
SCN4A P35499 1/20 0.53

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
SCHEMBL326633 0.89 ALDH1A1 (0.71) ALDH1A1LMNAKDM4ECYP2C9EDNRA
Hydrochloric Acid SCHEMBL27575105 0.87 ALDH1A1 (0.69) ALDH1A1LMNAKDM4ECYP2C9EDNRA
SCHEMBL3070565 0.83 ALDH1A1 (0.68) ALDH1A1LMNAKDM4ECYP2C9EDNRA
Trifluoroacetic Acid SCHEMBL19616930 0.78 SCN3A (0.59) ALDH1A1LMNAKDM4ECYP2C9EDNRA
SCHEMBL3050459 0.76 SCN3A (0.65) ALDH1A1LMNAKDM4ECYP2C9EDNRA
SCHEMBL3066836 0.75 LMNA (0.79) ALDH1A1LMNAKDM4ECYP2C9EDNRA
SCHEMBL3476554 0.74 ALDH1A1 (0.60) ALDH1A1LMNAKDM4ECYP2C9EDNRA
SCHEMBL8388562 0.74 PPIA (0.76) ALDH1A1LMNAKDM4ECYP2C9EDNRA
SCHEMBL183995 0.74 ALDH1A1 (0.72) ALDH1A1LMNAKDM4ECYP2C9EDNRA
SCHEMBL13180843 0.74 ALDH1A1 (0.72) ALDH1A1LMNAKDM4ECYP2C9EDNRA

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 ALDH1A1 2795/4885LMNA 4119/4885KDM4E 1760/4885
US-20080027067-A1 Heterocyclic derivatives as modulators of ion channels TRPV1, KCNJ2, KCNN3 ALDH1A1 1645/4885LMNA 2366/4885KDM4E 2958/4885
US-20110082117-A1 PHENYL SULFONAMIDES AS MODULATORS OF ION CHANNELS TRPV1, KCNJ2, TRPA1 ALDH1A1 2531/4885LMNA 3348/4885KDM4E 1801/4885
US-20130035310-A1 Piperidine and Piperazine Phenyl Sulfonamides as Modulators of Ion Channels TRPV1, TRPV5, TRPA1 ALDH1A1 2251/4885LMNA 4008/4885KDM4E 1716/4885

“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.