SCHEMBL2168052

SCHEMBL2168052

O=C(NCCCS(=O)(=O)O)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.63
HDAC2 Q92769 4/20 0.63
HDAC8 Q9BY41 4/20 0.63
HDAC6 Q9UBN7 4/20 0.63
HDAC3 O15379 3/20 0.63
HDAC4 P56524 3/20 0.63
HDAC7 Q8WUI4 3/20 0.63
HDAC10 Q969S8 3/20 0.63
HDAC11 Q96DB2 3/20 0.63
HDAC9 Q9UKV0 3/20 0.63
HDAC5 Q9UQL6 3/20 0.63
NAAA Q02083 1/20 0.63
NPC1 O15118 1/20 0.60
RAB9A P51151 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.54
ALDH1A1 P00352 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
GAA P10253 1/20 0.53
MAPK1 P28482 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53

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
SCHEMBL6570646 0.98 HDAC1 (0.61) HDAC1HDAC2HDAC8HDAC6HDAC3
SCHEMBL6572367 0.98 HDAC1 (0.61) HDAC1HDAC2HDAC8HDAC6HDAC3
SCHEMBL2169842 0.98 HDAC1 (0.61) HDAC1HDAC2HDAC8HDAC6HDAC3
SCHEMBL5709109 0.89 L3MBTL1 (0.60) HDAC1HDAC2HDAC8HDAC6HDAC3
SCHEMBL13943496 0.88 SMN1; SMN2 (0.63) HDAC1HDAC2HDAC8HDAC6HDAC3
SCHEMBL8779817 0.87 HDAC1 (0.79) HDAC1HDAC2HDAC8HDAC6HDAC3
SCHEMBL28561046 0.85 NAAA (0.55) HDAC1HDAC2HDAC8HDAC6HDAC3
SCHEMBL9188890 0.85 HDAC1 (0.82) HDAC1HDAC2HDAC8HDAC6HDAC3
SCHEMBL7460068 0.85 HDAC1 (0.82) HDAC1HDAC2HDAC8HDAC6HDAC3
SCHEMBL9492235 0.85 HDAC1 (0.82) HDAC1HDAC2HDAC8HDAC6HDAC3

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 46 patents — showing the first 20. 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
JP-4156795-B2 2008-09-24 JP claimed
US-20050048000-A1 Amyloid targeting imaging agents and uses thereof NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2005-03-03 US claimed
CN-1523992-A Compositions and methods for treating amyloidosis ʺ��ѧ 2004-08-25 CN claimed
EP-1051393-B1 NEW DERIVATIVES OF SULFONIC, PHOSPHONIC AND PHOSPHINIC AMINOALKANE ACIDS, THEIR PRODUCTION AND THEIR USE AS MEDICAMENTS MERCK SANTE SAS (FR) 2003-10-01 EP 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
JP-2002501040-A 2002-01-15 JP claimed
EP-1051393-A1 NEW DERIVATIVES OF SULFONIC, PHOSPHONIC AND PHOSPHINIC AMINOALKANE ACIDS, THEIR PRODUCTION AND THEIR USE AS MEDICAMENTS LIPHA (FR) 2000-11-15 EP claimed
WO-2000064420-A2 COMPOSITIONS AND METHODS FOR TREATING AMYLOIDOSIS USING SULPHONATE DERIVATIVES QUEEN'S UNIVERSITY AT KINGSTON (CA) 2000-11-02 WO claimed
WO-1999037606-A1 NEW DERIVATIVES OF SULFONIC, PHOSPHONIC AND PHOSPHINIC AMINOALKANE ACIDS, THEIR PRODUCTION AND THEIR USE AS MEDICAMENTS LIPHA (FR) 1999-07-29 WO claimed
US-20160116840-A1 COMPOUND, ACTIVE LIGHT SENSITIVE OR RADIATION SENSITIVE RESIN COMPOSITION, RESIST FILM USING SAME, RESIST-COATED MASK BLANK, PHOTOMASK, PATTERN FORMING METHOD, METHOD FOR MANUFACTURING ELECTRONIC DEVICE, AND ELECTRONIC DEVICE FUJIFILM CORPORATION (JP) 2016-04-28 US disclosed
US-20150236354-A1 COLLOIDAL DISPERSIONS COMPRISING PRECIOUS METAL PARTICLES AND ACIDIC lONOMER COMPONENTS AND METHODS OF THEIR MANUFACTURE AND USE GREENERITY GMBH (DE) 2015-08-20 US disclosed
CN-1235141-A Process for preparing organic compound MITSUI CHEMICALS INC (JP) 1999-11-17 CN disclosed
EP-0950649-A1 A process for preparing oxyalkylene derivatives in the presence of phosphine oxides Mitsui Chemicals, Inc. (JP) 1999-10-20 EP disclosed
WO-1999037606-A1 NEW DERIVATIVES OF SULFONIC, PHOSPHONIC AND PHOSPHINIC AMINOALKANE ACIDS, THEIR PRODUCTION AND THEIR USE AS MEDICAMENTS LIPHA (FR) 1999-07-29 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-20050048000-A1 Amyloid targeting imaging agents and uses thereof APP, APBA1, BACE1 HDAC1 4744/4885HDAC2 4848/4885HDAC8 4629/4885
US-20020115717-A1 Amyloid targeting imaging agents and uses thereof APP, APBA1, BACE1 HDAC1 4744/4885HDAC2 4848/4885HDAC8 4629/4885
US-20160116840-A1 COMPOUND, ACTIVE LIGHT SENSITIVE OR RADIATION SENSITIVE RESIN COMPOSITION, RESIST FILM USING SAME, RESIST-COATED MASK BLANK, PHOTOMASK, PATTERN FORMING METHOD, METHOD FOR MANUFACTURING ELECTRONIC DEVICE, AND ELECTRONIC DEVICE CHRM1, ESR1, RER1 HDAC1 619/4885HDAC2 1255/4885HDAC8 3670/4885

“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.