SCHEMBL3820663

SCHEMBL3820663

CC(=O)Oc1ccc(COC(=O)NCCCS(=O)(=O)O)cc1.[NaH]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
MAPT P10636 2/20 0.44
TGM2 P21980 1/20 0.43
KEAP1 Q14145 3/20 0.41
NFE2L2 Q16236 3/20 0.41
TPSAB1 Q15661 1/20 0.41
TPSD1 Q9BZJ3 1/20 0.41
TPSG1 Q9NRR2 1/20 0.41
KMT2A Q03164 2/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
MGLL Q99685 1/20 0.40
MEN1 O00255 1/20 0.39
CACNA1B Q00975 1/20 0.39
APBA1 Q02410 1/20 0.39
POLB P06746 1/20 0.39
PKM P14618 1/20 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
SCHEMBL13944213 0.99 HTT (0.45) HTTL3MBTL1MAPTTGM2KEAP1
SCHEMBL3820665 0.87 HTT (0.43) HTTL3MBTL1MAPTTGM2KEAP1
SCHEMBL15927264 0.83 HTT (0.49) HTTL3MBTL1MAPTTGM2KEAP1
SCHEMBL917788 0.82 HTT (0.65) HTTL3MBTL1TGM2KEAP1NFE2L2
SCHEMBL5562255 0.81 HTT (0.56) HTTL3MBTL1MAPTTGM2KEAP1
SCHEMBL917878 0.80 HTT (0.67) HTTL3MBTL1MAPTTGM2KEAP1
SCHEMBL1852073 0.80 SMN1; SMN2 (0.51) HTTL3MBTL1MAPTKMT2ALMNA
SCHEMBL13871818 0.80 MAPT (0.55) L3MBTL1MAPTMGLL
SCHEMBL918470 0.79 HTT (0.65) HTTL3MBTL1TGM2KEAP1NFE2L2
SCHEMBL23652155 0.79 MAPT (0.41) HTTL3MBTL1MAPTTGM2KEAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240065990-A1 METHODS, COMPOUNDS, COMPOSITIONS AND VEHICLES FOR DELIVERING 3-AMINO-1-PROPANESULFONIC ACID BELLUS HEALTH INC (CA) 2024-02-29 US disclosed
EP-3851447-B1 METHODS, COMPOUNDS, COMPOSITIONS AND VEHICLES FOR DELIVERING 3-AMINO-1-PROPANESULFONIC ACID BELLUS HEALTH INC (CA) 2023-09-06 EP disclosed
US-20210386693-A1 METHODS, COMPOUNDS, COMPOSITIONS AND VEHICLES FOR DELIVERING 3-AMINO-1-PROPANESULFONIC ACID BELLUS HEALTH (INTERNATIONAL) LIMITED (CH) 2021-12-16 US disclosed
EP-2862581-B1 Methods, compounds, compositions and vehicles for delivering 3-amino-1-propanesulfonic acid BHI LP (CA) 2021-08-11 EP disclosed
EP-3851447-A1 METHODS, COMPOUNDS, COMPOSITIONS AND VEHICLES FOR DELIVERING 3-AMINO-1-PROPANESULFONIC ACID BHI Limited Partnership (CA) 2021-07-21 EP disclosed
US-11020360-B2 Methods, compounds, compositions and vehicles for delivering 3-amino-1-propanesulfonic acid BELLUS HEALTH INC. (CA) 2021-06-01 US disclosed
US-10857109-B2 Methods, compounds, compositions and vehicles for delivering 3-amino-1-propanesulfonic acid Bellus Health, Inc. (CA) 2020-12-08 US disclosed
US-20200253897-A1 METHODS, COMPOUNDS, COMPOSITIONS AND VEHICLES FOR DELIVERING 3-AMINO-1-PROPANESULFONIC ACID BELLUS HEALTH (INTERNATIONAL) LIMITED (CH) 2020-08-13 US disclosed
US-10238611-B2 Methods, compounds, compositions and vehicles for delivering 3-amino-1-propanesulfonic acid BELLUS HEALTH INC. (CA) 2019-03-26 US disclosed
US-20170095430-A1 METHODS, COMPOUNDS, COMPOSITIONS AND VEHICLES FOR DELIVERING 3-AMINO-1-PROPANESULFONIC ACID BELLUS HEALTH INC. (CA) 2017-04-06 US disclosed
US-9499480-B2 Methods, compounds, compositions and vehicles for delivering 3-amino-1-propanesulfonic acid BHI LIMITED PARTNERSHIP (CA) 2016-11-22 US disclosed
EP-2862581-A2 Methods, compounds, compositions and vehicles for delivering 3-amino-1-propanesulfonic acid BHI Limited Partnership (CA) 2015-04-22 EP disclosed
EP-2089417-B1 METHODS, COMPOUNDS, COMPOSITIONS AND VEHICLES FOR DELIVERING 3-AMINO-1-PROPANESULFONIC ACID BHI LTD PARTNERSHIP (CA) 2014-12-31 EP disclosed
US-20140220122-A1 METHODS, COMPOUNDS, COMPOSITIONS AND VEHICLES FOR DELIVERING 3-AMINO-1-PROPANESULFONIC ACID BHI LIMITED PARTNERSHIP (CA) 2014-08-07 US disclosed
US-8748656-B2 Methods, compounds, compositions and vehicles for delivering 3-amino-1-propanesulfonic acid BHI LIMITED PARTNERSHIP (CA) 2014-06-10 US disclosed
EP-2089417-A2 METHODS, COMPOUNDS, COMPOSITIONS AND VEHICLES FOR DELIVERING 3-AMINO-1-PROPANESULFONIC ACID BELLUS Health (International) Limited (CH) 2009-08-19 EP disclosed
WO-2009019534-A2 METHODS, COMPOUNDS, COMPOSITIONS AND VEHICLES FOR DELIVERING 3-AMINO-1-PROPANESULFONIC ACID BELLUS HEALTH (INTERNATIONAL) LIMITED (US) 2009-02-12 WO disclosed
US-20080146642-A1 Propanesulfonic acid amino acid prodrugs that can deliver 3-amino-1-propanesulfonic acid (3APS) by minimizing metabolism associated with that drug, particularly compounds that block or protect amino group of 3APS such that it avoids metabolism by transaminases or monoamine oxidase; Alzheimer's disease BELLUS HEALTH INC. (CA) 2008-06-19 US 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 (9 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-20170095430-A1 METHODS, COMPOUNDS, COMPOSITIONS AND VEHICLES FOR DELIVERING 3-AMINO-1-PROPANESULFONIC ACID APP, PSEN1, PSEN2 HTT 19/4885L3MBTL1 2844/4885MAPT 24/4885
US-20240065990-A1 METHODS, COMPOUNDS, COMPOSITIONS AND VEHICLES FOR DELIVERING 3-AMINO-1-PROPANESULFONIC ACID APP, PSEN1, PSEN2 HTT 19/4885L3MBTL1 2822/4885MAPT 22/4885
US-11020360-B2 Methods, compounds, compositions and vehicles for delivering 3-amino-1-propanesulfonic acid APP, PSEN1, DNPEP HTT 19/4885L3MBTL1 2821/4885MAPT 31/4885
US-10857109-B2 Methods, compounds, compositions and vehicles for delivering 3-amino-1-propanesulfonic acid APP, PSEN1, DNPEP HTT 19/4885L3MBTL1 2821/4885MAPT 31/4885
US-20210386693-A1 METHODS, COMPOUNDS, COMPOSITIONS AND VEHICLES FOR DELIVERING 3-AMINO-1-PROPANESULFONIC ACID APP, PSEN1, PSEN2 HTT 19/4885L3MBTL1 2844/4885MAPT 24/4885
US-20200253897-A1 METHODS, COMPOUNDS, COMPOSITIONS AND VEHICLES FOR DELIVERING 3-AMINO-1-PROPANESULFONIC ACID APP, PSEN1, PSEN2 HTT 19/4885L3MBTL1 2844/4885MAPT 24/4885
US-20080146642-A1 Propanesulfonic acid amino acid prodrugs that can deliver 3-amino-1-propanesulfonic acid (3APS) by minimizing metabolism associated with that drug, particularly compounds that block or protect amino group of 3APS such that it avoids metabolism by transaminases or monoamine oxidase; Alzheimer's disease DNPEP, DAO, APP HTT 349/4885L3MBTL1 1937/4885MAPT 198/4885
US-20140220122-A1 METHODS, COMPOUNDS, COMPOSITIONS AND VEHICLES FOR DELIVERING 3-AMINO-1-PROPANESULFONIC ACID APP, PSEN1, PSEN2 HTT 19/4885L3MBTL1 2844/4885MAPT 24/4885
US-10238611-B2 Methods, compounds, compositions and vehicles for delivering 3-amino-1-propanesulfonic acid APP, PSEN1, DNPEP HTT 19/4885L3MBTL1 2821/4885MAPT 31/4885

“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.