SCHEMBL918271

SCHEMBL918271

C[N+](C)(CCCS(=O)(=O)O)CCCS(=O)(=O)O

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BBOX1 O75936 7/20 0.46
APP P05067 1/20 0.46
PTGS1 P23219 1/20 0.38
PDE4A P27815 1/20 0.38
LMNA P02545 1/20 0.38
SLC6A6 P31641 1/20 0.38
CYP2C19 P33261 1/20 0.38
BLM P54132 1/20 0.38
HTT P42858 1/20 0.36
DNM1 Q05193 4/20 0.35

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
SCHEMBL22006989 0.95 BBOX1 (0.43) BBOX1APPPTGS1PDE4AHTT
SCHEMBL15382997 0.91 DNM1 (0.50) BBOX1APPLMNAHTTDNM1
SCHEMBL1864397 0.91 DNM1 (0.48) BBOX1APPLMNAHTTDNM1
SCHEMBL352054 0.91 DNM1 (0.48) BBOX1APPPTGS1PDE4ALMNA
Water SCHEMBL1271206 0.89 DNM1 (0.46) BBOX1APPLMNAHTTDNM1
SCHEMBL9889324 0.89 PTGS1 (0.46) BBOX1APPPTGS1PDE4ALMNA
SCHEMBL15809578 0.89 BBOX1 (0.39) BBOX1APPPTGS1PDE4ALMNA
SCHEMBL9107826 0.89 BBOX1 (0.39) BBOX1APPPTGS1PDE4ALMNA
Water SCHEMBL16968732 0.89 DNM1 (0.47) BBOX1APPPTGS1PDE4ALMNA
SCHEMBL15380501 0.89 APP (0.54) BBOX1APPPTGS1PDE4ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1646659-B1 METHOD FOR THE PREPARATION OF 1,3-PROPANE DISULFONIC ACID COMPOUNDS KIACTA S RL (CH) 2014-05-14 EP disclosed
US-20140107027-A1 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES BHI LIMITED PARTNERSHIP (CA) 2014-04-17 US disclosed
US-20140107027-A1 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES BHI LIMITED PARTNERSHIP (CA) 2014-04-17 US disclosed
US-8642801-B2 Methods and compositions for treating amyloid-related diseases BHI LIMITED PARTNERSHIP (CA) 2014-02-04 US disclosed
US-20120015911-A1 METHOD AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES BELLUS HEALTH INC. (CA) 2012-01-19 US disclosed
US-8044100-B2 Methods and compositions for treating amyloid-related diseases BELLUS HEALTH INC. (CA) 2011-10-25 US disclosed
US-20110021813-A1 PHARMACEUTICAL DRUG CANDIDATES AND METHODS FOR PREPARATION THEREOF KONG XIANQI 2011-01-27 US disclosed
US-20110021813-A1 PHARMACEUTICAL DRUG CANDIDATES AND METHODS FOR PREPARATION THEREOF KONG XIANQI 2011-01-27 US disclosed
US-20100113591-A1 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES BELLUS HEALTH (INTERNATIONAL) LIMITED (CH) 2010-05-06 US disclosed
US-7414076-B2 Methods and compositions for treating amyloid-related diseases NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2008-08-19 US disclosed
US-20080027097-A1 PHARMACEUTICAL DRUG CANDIDATES AND METHODS FOR PREPARATION THEREOF NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2008-01-31 US disclosed
US-20080027097-A1 PHARMACEUTICAL DRUG CANDIDATES AND METHODS FOR PREPARATION THEREOF NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2008-01-31 US disclosed
US-7253306-B2 Pharmaceutical drug candidates and methods for preparation thereof NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2007-08-07 US disclosed
US-7253306-B2 Pharmaceutical drug candidates and methods for preparation thereof NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2007-08-07 US disclosed
US-20070010573-A1 Methods and compositions for treating amyloid-related diseases BELLUS HEALTH (INTERNATIONAL) LIMITED (CH) 2007-01-11 US disclosed
EP-1646659-A2 IMPROVED PHARMACEUTICAL DRUG CANDIDATES AND METHODS FOR PREPARATION THEREOF Neurochem (International) Limited (CH) 2006-04-19 EP disclosed
US-20050143462-A1 Pharmaceutical drug candidates and methods for preparation thereof NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2005-06-30 US disclosed
WO-2004113391-A2 IMPROVED PHARMACEUTICAL DRUG CANDIDATES AND METHODS FOR PREPARATION THEREOF NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2004-12-29 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 (8 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-20110021813-A1 PHARMACEUTICAL DRUG CANDIDATES AND METHODS FOR PREPARATION THEREOF MPST, TTR, STS BBOX1 1213/4885APP 86/4885PTGS1 400/4885
US-20050143462-A1 Pharmaceutical drug candidates and methods for preparation thereof MPST, TTR, STS BBOX1 1213/4885APP 86/4885PTGS1 400/4885
US-20140329746-A1 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES APP, PSEN1, PSEN2 BBOX1 544/4885APP 1/4885PTGS1 1584/4885
US-20080027097-A1 PHARMACEUTICAL DRUG CANDIDATES AND METHODS FOR PREPARATION THEREOF MPST, TTR, STS BBOX1 1213/4885APP 86/4885PTGS1 400/4885
US-20140107027-A1 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES APP, PSEN1, PSEN2 BBOX1 544/4885APP 1/4885PTGS1 1584/4885
US-20100113591-A1 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES APP, PSEN1, PSEN2 BBOX1 544/4885APP 1/4885PTGS1 1584/4885
US-20120015911-A1 METHOD AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES APP, PSEN1, PSEN2 BBOX1 377/4885APP 1/4885PTGS1 1850/4885
US-20070010573-A1 Methods and compositions for treating amyloid-related diseases APP, PSEN1, PSEN2 BBOX1 544/4885APP 1/4885PTGS1 1584/4885

“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.