SCHEMBL13944875

SCHEMBL13944875

CC(=O)OC[C@H]1O[C@@H](OC[C@H](N)C(=O)NCCCS(=O)(=O)O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 17/20 0.48
▸ CA9 Q16790 15/20 0.46
▸ CA1 P00915 15/20 0.46
▸ CA12 O43570 14/20 0.46
▸ CYP2D6 P10635 1/20 0.44
▸ THRB P10828 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ CA14 Q9ULX7 2/20 0.41
▸ CA4 P22748 2/20 0.41
▸ CA5A P35218 2/20 0.41
▸ CA7 P43166 2/20 0.41
▸ CA5B Q9Y2D0 2/20 0.41
▸ PKM P14618 1/20 0.40

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
SCHEMBL23740312 1.00 CA2 (0.48) CA2CA9CA1CA12CYP2D6
SCHEMBL13405552 0.85 CA2 (0.43) CA2CA9CA1CA12CYP2D6
SCHEMBL14172492 0.82 CA2 (0.49) CA2CA9CA1CA12CYP2D6
SCHEMBL16377903 0.82 CA2 (0.49) CA2CA9CA1CA12CYP2D6
SCHEMBL14172495 0.82 CYP2D6 (0.51) CA2CA9CA1CA12CYP2D6
SCHEMBL23652136 0.81 CA2 (0.48) CA2CA9CA1CA12CYP2D6
SCHEMBL23740302 0.81 CA2 (0.48) CA2CA9CA1CA12CYP2D6
SCHEMBL13943527 0.81 CA2 (0.48) CA2CA9CA1CA12CYP2D6
SCHEMBL23652150 0.79 CA2 (0.48) CA2CA9CA1CA12CYP2D6
SCHEMBL14172499 0.79 CA2 (0.48) CA2CA9CA1CA12CYP2D6

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
US-20240065990-A1 METHODS, COMPOUNDS, COMPOSITIONS AND VEHICLES FOR DELIVERING 3-AMINO-1-PROPANESULFONIC ACID BELLUS HEALTH INC (CA) 2024-02-29 — — US 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-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
US-8748656-B2 Methods, compounds, compositions and vehicles for delivering 3-amino-1-propanesulfonic acid BHI LIMITED PARTNERSHIP (CA) 2014-06-10 — — US 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
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 CA2 1659/4885CA9 1235/4885CA1 119/4885
US-20240065990-A1 METHODS, COMPOUNDS, COMPOSITIONS AND VEHICLES FOR DELIVERING 3-AMINO-1-PROPANESULFONIC ACID APP, PSEN1, PSEN2 CA2 1611/4885CA9 1261/4885CA1 109/4885
US-11020360-B2 Methods, compounds, compositions and vehicles for delivering 3-amino-1-propanesulfonic acid APP, PSEN1, DNPEP CA2 1558/4885CA9 1262/4885CA1 115/4885
US-10857109-B2 Methods, compounds, compositions and vehicles for delivering 3-amino-1-propanesulfonic acid APP, PSEN1, DNPEP CA2 1558/4885CA9 1262/4885CA1 115/4885
US-20210386693-A1 METHODS, COMPOUNDS, COMPOSITIONS AND VEHICLES FOR DELIVERING 3-AMINO-1-PROPANESULFONIC ACID APP, PSEN1, PSEN2 CA2 1659/4885CA9 1235/4885CA1 119/4885
US-20200253897-A1 METHODS, COMPOUNDS, COMPOSITIONS AND VEHICLES FOR DELIVERING 3-AMINO-1-PROPANESULFONIC ACID APP, PSEN1, PSEN2 CA2 1659/4885CA9 1235/4885CA1 119/4885
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 CA2 2017/4885CA9 1662/4885CA1 531/4885
US-20140220122-A1 METHODS, COMPOUNDS, COMPOSITIONS AND VEHICLES FOR DELIVERING 3-AMINO-1-PROPANESULFONIC ACID APP, PSEN1, PSEN2 CA2 1659/4885CA9 1235/4885CA1 119/4885
US-10238611-B2 Methods, compounds, compositions and vehicles for delivering 3-amino-1-propanesulfonic acid APP, PSEN1, DNPEP CA2 1558/4885CA9 1262/4885CA1 115/4885

“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.

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