SCHEMBL4203451

SCHEMBL4203451

O=[N+]([O-])c1ccc(CS(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.59
HTT P42858 1/20 0.58
ALDH1A1 P00352 4/20 0.57
CYP1A2 P05177 2/20 0.57
CYP2C19 P33261 2/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
MAPK1 P28482 1/20 0.57
HIF1A Q16665 1/20 0.57
MAPT P10636 2/20 0.54
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
LOXL2 Q9Y4K0 1/20 0.52
TSHR P16473 1/20 0.51
HSD17B10 Q99714 1/20 0.51
CA12 O43570 3/20 0.50
CA2 P00918 3/20 0.50
CA9 Q16790 3/20 0.50
GAA P10253 1/20 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
SCHEMBL20380076 0.95 HTT (0.64) HSD11B1HTTALDH1A1CYP1A2CYP2C19
SCHEMBL27546595 0.86 LOXL2 (0.72) HTTALDH1A1CYP1A2CYP2C19CYP3A4
SCHEMBL3381147 0.85 ACHE (0.61) ALDH1A1CYP1A2CYP2C19CYP3A4CYP2D6
SCHEMBL31225036 0.85 CYP1A2 (0.58) HTTALDH1A1CYP1A2CYP2C19CYP3A4
SCHEMBL31273875 0.84 TSHR (0.67) HSD11B1MAPTMEN1KMT2ATSHR
SCHEMBL19332554 0.84 CYP2C19 (0.50) HSD11B1HTTALDH1A1CYP1A2CYP2C19
SCHEMBL6512769 0.83 HSD11B1 (0.56) HSD11B1HTTALDH1A1CYP1A2CYP2C19
SCHEMBL30963225 0.82 HTT (0.66) HTTALDH1A1CYP1A2CYP2C19CYP3A4
SCHEMBL13723216 0.82 CYP1A2 (0.57) HTTALDH1A1CYP1A2CYP2C19CYP3A4
SCHEMBL30963204 0.82 ALDH1A1 (0.50) HSD11B1HTTALDH1A1CYP1A2CYP2C19

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8252841-B2 Methods of inhibiting bacterial virulence and compounds relating thereto THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2012-08-28 US disclosed
US-20090012308-A1 PROCESS FOR THE MANUFACTURE OF BENZYLSULFONYLARENES WYETH (US) 2009-01-08 US disclosed
US-20090012308-A1 PROCESS FOR THE MANUFACTURE OF BENZYLSULFONYLARENES WYETH (US) 2009-01-08 US disclosed
WO-2008157216-A1 PROCESS FOR THE MANUFACTURE OF BENZYLSULFONYLARENES WYETH (US) 2008-12-24 WO disclosed
US-20070021509-A1 Phosphate transport inhibitors JOZEFIAK THOMAS H 2007-01-25 US disclosed
EP-0050225-A1 Sulfones, their preparation and use BASF Aktiengesellschaft (DE) 1982-04-28 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 (2 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-20090012308-A1 PROCESS FOR THE MANUFACTURE OF BENZYLSULFONYLARENES HTR6, HTR2B, HTR3B HSD11B1 1945/4885HTT 285/4885ALDH1A1 721/4885
US-20070021509-A1 Phosphate transport inhibitors SLC34A2, SLC34A1, SLC20A1 HSD11B1 678/4885HTT 2299/4885ALDH1A1 2163/4885

“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.