SCHEMBL2098424

SCHEMBL2098424

O=S(=O)(NC1CCN(Cc2ccccc2)CC1)N1CCOCC1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.70
MAPT P10636 1/20 0.70
TSHR P16473 1/20 0.60
HTT P42858 1/20 0.60
KMT2A Q03164 4/20 0.56
CYP2C19 P33261 2/20 0.56
ICAM1 P05362 1/20 0.56
MEN1 O00255 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
THRB P10828 1/20 0.55
BCHE P06276 1/20 0.54
ACHE P22303 1/20 0.54
BACE1 P56817 1/20 0.54
SIGMAR1 Q99720 2/20 0.52
HTR2A P28223 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
RECQL P46063 1/20 0.51
TP53 P04637 1/20 0.50
L3MBTL1 Q9Y468 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
SCHEMBL6335815 0.81 HTT (0.67) ALDH1A1MAPTHTTKMT2ACYP2C19
SCHEMBL3310495 0.81 MC4R (0.58) ALDH1A1MAPTTSHRHTTKMT2A
SCHEMBL6752179 0.80 HTT (0.65) ALDH1A1HTTKMT2ACYP2C19MEN1
SCHEMBL6749008 0.80 HTT (0.65) ALDH1A1HTTKMT2ACYP2C19MEN1
SCHEMBL6749288 0.80 HTT (0.65) ALDH1A1MAPTHTTKMT2ACYP2C19
SCHEMBL6965515 0.79 HTT (0.85) ALDH1A1MAPTHTTKMT2ACYP2C19
SCHEMBL19734218 0.77 NPSR1 (0.61) ALDH1A1MAPTHTTKMT2ACYP2C19
SCHEMBL31097554 0.77 ALDH1A1 (0.61) ALDH1A1MAPTTSHRHTTKMT2A
SCHEMBL27162554 0.77 ALDH1A1 (0.61) ALDH1A1MAPTTSHRHTTKMT2A
SCHEMBL13102870 0.77 HTT (0.61) ALDH1A1HTTKMT2ACYP2C19ICAM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8513237-B2 Sulfonylamino-derivatives as novel inhibitors of histone deacetylase JANSSEN PHARMACEUTICA N.V. (BE) 2013-08-20 US disclosed
US-20120178741-A1 Sulfonylamino-Derivatives As Novel Inhibitors Of Histone Deacetylase JANSSEN PHARMACEUTICA N.V. (BE) 2012-07-12 US disclosed
US-8163733-B2 Sulfonylamino-derivatives as novel inhibitors of histone deacetylase JANSSEN PHARMACEUTICA N.V. (BE) 2012-04-24 US disclosed
US-20100234353-A1 SULFONYLAMINO-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA N.V. (BE) 2010-09-16 US disclosed
US-7767679-B2 Sulfonylamino-derivatives as novel inhibitors of histone deacetylase JANSSEN PHARMACEUTICA N.V. (BE) 2010-08-03 US disclosed
EP-1485354-B1 SULFONYLAMINO-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA NV (BE) 2008-05-28 EP disclosed
CN-1305850-C Sulfonylamino-derivatives as novel inhibitors of histone deacetylase JANSSEN PHARMACEUTICA NV (BE) 2007-03-21 CN disclosed
US-20050171347-A1 Sulfonylamino-derivatives as novel inhibitors of histone deacetylase JANSSEN PHARMACEUTICA N.V. (BE) 2005-08-04 US disclosed
CN-1642912-A Sulfonylamino-derivatives as novel inhibitors of histone deacetylase JANSSEN PHARMACEUTICA NV (BE) 2005-07-20 CN disclosed
EP-1485354-A1 SULFONYLAMINO-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA N.V. (BE) 2004-12-15 EP disclosed
WO-2003076401-A1 SULFONYLAMINO-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA N.V. (BE) 2003-09-18 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 (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-20100234353-A1 SULFONYLAMINO-DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC3, HDAC11 ALDH1A1 1350/4885MAPT 3878/4885TSHR 909/4885
US-20050171347-A1 Sulfonylamino-derivatives as novel inhibitors of histone deacetylase HDAC1, HDAC3, HDAC11 ALDH1A1 1350/4885MAPT 3878/4885TSHR 909/4885
US-20120178741-A1 Sulfonylamino-Derivatives As Novel Inhibitors Of Histone Deacetylase HDAC1, HDAC3, HDAC11 ALDH1A1 1350/4885MAPT 3878/4885TSHR 909/4885

“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.