SCHEMBL917583

SCHEMBL917583

O=S(=O)(O)CCCNc1ccc(O)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
THRB P10828 2/20 0.46
HPGD P15428 2/20 0.46
ALOX15 P16050 2/20 0.46
CASP1 P29466 2/20 0.46
HSD17B10 Q99714 2/20 0.46
TP53 P04637 1/20 0.46
CYP3A4 P08684 1/20 0.46
RECQL P46063 1/20 0.46
HIF1A Q16665 1/20 0.46
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
PRSS1 P07477 7/20 0.42
APP P05067 1/20 0.41
F2 P00734 2/20 0.41
PRSS2 P07478 2/20 0.41
PRSS3 P35030 2/20 0.41
TMPRSS6 Q8IU80 2/20 0.41
ST14 Q9Y5Y6 2/20 0.41
MGLL Q99685 2/20 0.39

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
SCHEMBL10001896 0.96 ALDH1A1 (0.46) ALDH1A1THRBHPGDALOX15CASP1
SCHEMBL917966 0.85 MEN1 (0.44) ALDH1A1CA1CA2PRSS1F2
SCHEMBL9852004 0.84 MAPT (0.55) ALDH1A1CYP3A4CA1CA2PRSS1
SCHEMBL917777 0.84 CYP2D6 (0.51) ALDH1A1CA1CA2PRSS1APP
SCHEMBL246721 0.83 ALDH1A1 (0.59) ALDH1A1CA1CA2PRSS1F2
SCHEMBL1333377 0.81 ALDH1A1 (0.57) ALDH1A1CA1CA2PRSS1F2
SCHEMBL918230 0.81 ALDH1A1 (0.47) ALDH1A1CA1CA2PRSS1MAPT
SCHEMBL27638315 0.81 CA1 (0.52) CA1CA2MEN1KMT2A
SCHEMBL917421 0.80 FDPS (0.41) ALDH1A1PRSS1F2PRSS2PRSS3
Water SCHEMBL20853620 0.80 ALDH1A1 (0.55) ALDH1A1ALOX15CA1CA2PRSS1

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 42 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
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
CN-116768810-A Triazine derivative and preparation method and application thereof 福建省巴特斯化工实业有限公司 2023-09-19 CN disclosed
US-20140329746-A1 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2014-11-06 US disclosed
US-20140329746-A1 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2014-11-06 US disclosed
US-8835654-B2 Method and compositions for treating amyloid-related diseases BHI LIMITED PARTNERSHIP (CA) 2014-09-16 US disclosed
US-8835654-B2 Method and compositions for treating amyloid-related diseases BHI LIMITED PARTNERSHIP (CA) 2014-09-16 US disclosed
US-20050048000-A1 Amyloid targeting imaging agents and uses thereof NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2005-03-03 US disclosed
US-20050014213-A1 Method of colorimetry and reagent for use therein ARKRAY, INC. (JP) 2005-01-20 US disclosed
WO-2004113391-A2 IMPROVED PHARMACEUTICAL DRUG CANDIDATES AND METHODS FOR PREPARATION THEREOF NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2004-12-29 WO disclosed
EP-1303311-A2 AMYLOID TARGETING IMAGING AGENTS AND USES THEREOF Neurochem, Inc. (CA) 2003-04-23 EP disclosed
US-20020115717-A1 Amyloid targeting imaging agents and uses thereof NEUROCHEM (INTERNATIONAL) LIMITED (GI) 2002-08-22 US disclosed
WO-2002007781-A2 AMYLOID TARGETING IMAGING AGENTS AND USES THEREOF NEUROCHEM INC. (CA) 2002-01-31 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 ALDH1A1 3305/4885THRB 4305/4885HPGD 2990/4885
US-20020115717-A1 Amyloid targeting imaging agents and uses thereof APP, APBA1, BACE1 ALDH1A1 3305/4885THRB 4305/4885HPGD 2990/4885
US-20140329746-A1 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES APP, PSEN1, PSEN2 ALDH1A1 2989/4885THRB 3711/4885HPGD 1438/4885

“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.