SCHEMBL2097769

SCHEMBL2097769

O=C(O)N1CCC(NS(=O)(=O)c2ccc3ccccc3c2)CC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.65
ALDH1A1 P00352 1/20 0.65
SMN1; SMN2 Q16637 1/20 0.65
DPP4 P27487 1/20 0.56
DPP7 Q9UHL4 1/20 0.56
F10 P00742 1/20 0.52
CCR8 P51685 1/20 0.52
AKR1C3 P42330 3/20 0.48
AKR1C1 Q04828 1/20 0.48
CCR3 P51677 1/20 0.47
KAT6A Q92794 1/20 0.47
F2 P00734 1/20 0.46
PARG Q86W56 1/20 0.46
DRD2 P14416 2/20 0.46
HTR2A P28223 2/20 0.46
HTR7 P34969 2/20 0.46
HTR6 P50406 2/20 0.46
DRD4 P21917 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HTT P42858 1/20 0.45

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
SCHEMBL932063 0.84 SMN1; SMN2 (0.59) KMT2AALDH1A1SMN1; SMN2DPP4DPP7
SCHEMBL3683615 0.83 KMT2A (0.69) KMT2AALDH1A1SMN1; SMN2DPP4DPP7
SCHEMBL10194548 0.83 SFRP1 (0.56) KMT2AALDH1A1SMN1; SMN2DPP4DPP7
SCHEMBL27917838 0.81 BCHE (0.65) ALDH1A1F10F2
SCHEMBL10194565 0.81 SFRP1 (0.60) KMT2AALDH1A1SMN1; SMN2DPP4DPP7
SCHEMBL13954121 0.81 CCR8 (0.79) KMT2AALDH1A1SMN1; SMN2CCR8
SCHEMBL23052423 0.81 KMT2A (0.66) KMT2AALDH1A1SMN1; SMN2PARGL3MBTL1
SCHEMBL23052375 0.81 KMT2A (0.63) KMT2AALDH1A1SMN1; SMN2DPP4DPP7
SCHEMBL14834383 0.80 MGLL (0.57) KMT2AALDH1A1SMN1; SMN2DPP4DPP7
SCHEMBL8546806 0.80 AKR1C3 (0.51) KMT2AALDH1A1SMN1; SMN2AKR1C3AKR1C1

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-8513237-B2 Sulfonylamino-derivatives as novel inhibitors of histone deacetylase JANSSEN PHARMACEUTICA N.V. (BE) 2013-08-20 US disclosed
CN-103068797-A Hexafluoroisopropyl carbamate derivatives, their preparation and their therapeutic application SANOFI SA 2013-04-24 CN 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
US-20050171347-A1 Sulfonylamino-derivatives as novel inhibitors of histone deacetylase JANSSEN PHARMACEUTICA N.V. (BE) 2005-08-04 US 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 KMT2A 29/4885ALDH1A1 1350/4885SMN1; SMN2 3807/4885
US-20050171347-A1 Sulfonylamino-derivatives as novel inhibitors of histone deacetylase HDAC1, HDAC3, HDAC11 KMT2A 29/4885ALDH1A1 1350/4885SMN1; SMN2 3807/4885
US-20120178741-A1 Sulfonylamino-Derivatives As Novel Inhibitors Of Histone Deacetylase HDAC1, HDAC3, HDAC11 KMT2A 29/4885ALDH1A1 1350/4885SMN1; SMN2 3807/4885

“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.