SCHEMBL1333377

SCHEMBL1333377

O=S(=O)(O)CCCNc1ccccc1.[NaH]

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.57
MAPT P10636 2/20 0.57
HDAC1 Q13547 2/20 0.43
HDAC3 O15379 1/20 0.43
HDAC2 Q92769 1/20 0.43
NCOR2 Q9Y618 1/20 0.43
CA12 O43570 2/20 0.43
CA2 P00918 2/20 0.43
CA9 Q16790 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
PKM P14618 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CA1 P00915 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
KCNH3 Q9ULD8 1/20 0.38
PRSS1 P07477 2/20 0.38
ACP1 P24666 1/20 0.38
ACHE P22303 1/20 0.38

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
Water SCHEMBL20853620 0.98 ALDH1A1 (0.55) ALDH1A1MAPTHDAC1HDAC3HDAC2
SCHEMBL246721 0.98 ALDH1A1 (0.59) ALDH1A1MAPTHDAC1HDAC3HDAC2
SCHEMBL8969604 0.96 ALDH1A1 (0.57) ALDH1A1MAPTHDAC1HDAC3HDAC2
SCHEMBL8968746 0.95 ALDH1A1 (0.55) ALDH1A1MAPTHDAC1HDAC3HDAC2
SCHEMBL5524297 0.95 ALDH1A1 (0.55) ALDH1A1MAPTHDAC1HDAC3HDAC2
SCHEMBL8968708 0.95 ALDH1A1 (0.55) ALDH1A1MAPTHDAC1HDAC3HDAC2
SCHEMBL8969890 0.95 ALDH1A1 (0.55) ALDH1A1MAPTHDAC1HDAC3HDAC2
SCHEMBL1607864 0.94 ALDH1A1 (0.59) ALDH1A1MAPTHDAC1HDAC3HDAC2
SCHEMBL1607516 0.93 ALDH1A1 (0.57) ALDH1A1MAPTHDAC1HDAC3HDAC2
SCHEMBL1607454 0.93 ALDH1A1 (0.57) ALDH1A1MAPTHDAC1HDAC3HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4726304-B2 2011-07-20 JP claimed
EP-1276483-B1 COMPOSITIONS AND METHODS FOR TREATING AMYLOIDOSIS USING SULPHONATE DERIVATIVES BELLUS HEALTH INT LTD (CH) 2009-09-02 EP claimed
US-20050048000-A1 Amyloid targeting imaging agents and uses thereof NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2005-03-03 US claimed
JP-2003517458-A 2003-05-27 JP claimed
EP-1303311-A2 AMYLOID TARGETING IMAGING AGENTS AND USES THEREOF Neurochem, Inc. (CA) 2003-04-23 EP claimed
EP-1276483-A2 COMPOSITIONS AND METHODS FOR TREATING AMYLOIDOSIS USING SULPHONATE DERIVATIVES QUEEN'S UNIVERSITY AT KINGSTON (CA) 2003-01-22 EP claimed
US-20020115717-A1 Amyloid targeting imaging agents and uses thereof NEUROCHEM (INTERNATIONAL) LIMITED (GI) 2002-08-22 US claimed
WO-2002007781-A2 AMYLOID TARGETING IMAGING AGENTS AND USES THEREOF NEUROCHEM INC. (CA) 2002-01-31 WO claimed
WO-2000064420-A2 COMPOSITIONS AND METHODS FOR TREATING AMYLOIDOSIS USING SULPHONATE DERIVATIVES QUEEN'S UNIVERSITY AT KINGSTON (CA) 2000-11-02 WO claimed
US-20110281951-A1 Compositions and methods for treating amyloidosis BHI LIMITED PARTNERSHIP (CA) 2011-11-17 US disclosed
EP-1276483-B1 COMPOSITIONS AND METHODS FOR TREATING AMYLOIDOSIS USING SULPHONATE DERIVATIVES BELLUS HEALTH INT LTD (CH) 2009-09-02 EP disclosed
US-20090099100-A1 Compositions and methods for treating amyloidosis BELLUS HEALTH (INTERNATIONAL) LIMITED (CH) 2009-04-16 US disclosed
US-20070224685-A1 Reagent Containing Protease Reaction Promoter and/or Colorant Stabilizer ASAHI KASEI PHARMA CORPORATION (JP) 2007-09-27 US disclosed
EP-1788081-A1 REAGENT CONTAINING PROTEASE REACTION PROMOTER AND/OR COLORANT STABILIZER Asahi Kasei Pharma Corporation (JP) 2007-05-23 EP disclosed
US-20040198832-A1 Compositions and methods for treating amyloidosis QUEEN'S UNIVERSITY AT KINGSTON (CA) 2004-10-07 US disclosed
EP-1276483-A2 COMPOSITIONS AND METHODS FOR TREATING AMYLOIDOSIS USING SULPHONATE DERIVATIVES QUEEN'S UNIVERSITY AT KINGSTON (CA) 2003-01-22 EP disclosed
WO-2000064420-A2 COMPOSITIONS AND METHODS FOR TREATING AMYLOIDOSIS USING SULPHONATE DERIVATIVES QUEEN'S UNIVERSITY AT KINGSTON (CA) 2000-11-02 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 (5 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-20090099100-A1 Compositions and methods for treating amyloidosis TTR, SNCA, ARSA ALDH1A1 1526/4885MAPT 223/4885HDAC1 2054/4885
US-20110281951-A1 Compositions and methods for treating amyloidosis TTR, SNCA, ARSA ALDH1A1 1526/4885MAPT 223/4885HDAC1 2054/4885
US-20050048000-A1 Amyloid targeting imaging agents and uses thereof APP, APBA1, BACE1 ALDH1A1 3305/4885MAPT 10/4885HDAC1 4744/4885
US-20020115717-A1 Amyloid targeting imaging agents and uses thereof APP, APBA1, BACE1 ALDH1A1 3305/4885MAPT 10/4885HDAC1 4744/4885
US-20040198832-A1 Compositions and methods for treating amyloidosis TTR, APP, CRYAA ALDH1A1 1199/4885MAPT 185/4885HDAC1 1833/4885

“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.