SCHEMBL183995

SCHEMBL183995

O=S(=O)(Nc1nccs1)c1ccc(I)cc1

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.72
LMNA P02545 4/20 0.72
SMN1; SMN2 Q16637 3/20 0.72
KDM4E B2RXH2 1/20 0.72
CYP2C9 P11712 1/20 0.72
EDNRA P25101 1/20 0.72
SLC6A4 P31645 1/20 0.72
ADRA1A P35348 1/20 0.72
PRMT6 Q96LA8 1/20 0.72
TDP1 Q9NUW8 1/20 0.72
CYP1A2 P05177 1/20 0.65
PKM P14618 5/20 0.63
MEN1 O00255 3/20 0.62
KMT2A Q03164 3/20 0.62
ATM Q13315 1/20 0.60
PPIA P62937 2/20 0.56
TSHR P16473 1/20 0.55
SCN3A Q9NY46 1/20 0.54
HTT P42858 1/20 0.54

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
SCHEMBL3066836 0.85 LMNA (0.79) ALDH1A1LMNASMN1; SMN2KDM4ECYP2C9
SCHEMBL184078 0.84 ALDH1A1 (0.72) ALDH1A1LMNASMN1; SMN2KDM4ECYP2C9
Sulfathiazole SCHEMBL94165 0.84 ALDH1A1 (1.00) ALDH1A1LMNASMN1; SMN2KDM4ECYP2C9
SCHEMBL8388562 0.84 PPIA (0.76) ALDH1A1LMNASMN1; SMN2KDM4ECYP2C9
SCHEMBL13180843 0.84 ALDH1A1 (0.72) ALDH1A1LMNASMN1; SMN2KDM4ECYP2C9
SCHEMBL1650814 0.84 ALDH1A1 (0.72) ALDH1A1LMNASMN1; SMN2KDM4ECYP2C9
Sulfathiazole SCHEMBL30130508 0.84 ALDH1A1 (1.00) ALDH1A1LMNASMN1; SMN2KDM4ECYP2C9
SCHEMBL326633 0.83 ALDH1A1 (0.71) ALDH1A1LMNASMN1; SMN2KDM4ECYP2C9
SCHEMBL12383540 0.83 ALDH1A1 (0.62) ALDH1A1LMNASMN1; SMN2KDM4ECYP2C9
Sulfathiazole SCHEMBL468436 0.83 ALDH1A1 (0.97) ALDH1A1LMNASMN1; SMN2KDM4ECYP2C9

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 86 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8841282-B2 Pyrrolidinone benzenesulfonamide derivatives as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-09-23 US disclosed
US-8841282-B2 Pyrrolidinone benzenesulfonamide derivatives as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-09-23 US disclosed
US-8841282-B2 Pyrrolidinone benzenesulfonamide derivatives as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-09-23 US disclosed
US-8741934-B2 Inhibitors of ion channels PFIZER LIMITED (GB) 2014-06-03 US disclosed
US-8741934-B2 Inhibitors of ion channels PFIZER LIMITED (GB) 2014-06-03 US disclosed
US-8741934-B2 Inhibitors of ion channels PFIZER LIMITED (GB) 2014-06-03 US disclosed
US-20130338119-A1 Pyrrolidinone Benzenesulfonamide Derivatives as Modulators of Ion Channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-12-19 US disclosed
US-8586589-B2 Piperidine and piperazine phenyl sulfonamides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-11-19 US disclosed
US-8586589-B2 Piperidine and piperazine phenyl sulfonamides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-11-19 US disclosed
US-20130072471-A1 Inhibitors of Ion Channels MARRON BRIAN EDWARD (US) 2013-03-21 US disclosed
WO-2008118758-A1 INHIBITORS OF ION CHANNELS ICAGEN, INC. (GB) 2008-10-02 WO 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
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
WO-2007075895-A2 HETEROCYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-07-05 WO disclosed
EP-0532239-B1 Benzenesulphonamide derivatives as 5-lipoxygenase inhibitors ZENECA LTD (GB) 1995-12-13 EP disclosed
US-5403857-A Benzenesulphonamide derivatives having 5-lipoxygenase inhibitory activity IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1995-04-04 US disclosed
US-5314891-A Lipoxygenase inhibitors IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-05-24 US disclosed
EP-0532239-A1 Benzenesulphonamide derivatives as 5-lipoxygenase inhibitors ZENECA LIMITED (GB) 1993-03-17 EP 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-20080027067-A1 Heterocyclic derivatives as modulators of ion channels TRPV1, KCNJ2, KCNN3 ALDH1A1 1645/4885LMNA 2366/4885SMN1; SMN2 1123/4885
US-20130072471-A1 Inhibitors of Ion Channels TRPV1, TRPV5, TRPA1 ALDH1A1 3113/4885LMNA 3442/4885SMN1; SMN2 445/4885
US-20130338119-A1 Pyrrolidinone Benzenesulfonamide Derivatives as Modulators of Ion Channels KCNJ2, KCNN2, KCNJ1 ALDH1A1 2531/4885LMNA 1772/4885SMN1; SMN2 710/4885

“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.