SCHEMBL14172497

SCHEMBL14172497

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

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PRKACA P17612 2/20 0.37
▸ PTGS1 P23219 2/20 0.36
▸ PTGS2 P35354 2/20 0.36
▸ CA2 P00918 3/20 0.34
▸ SLC2A1 P11166 1/20 0.34
▸ ADORA1 P30542 2/20 0.33
▸ CA12 O43570 2/20 0.32
▸ CA1 P00915 2/20 0.32
▸ CA9 Q16790 2/20 0.32
▸ PYGB P11216 1/20 0.31
▸ KMT2A Q03164 1/20 0.30
▸ ACHE P22303 1/20 0.30
▸ HINT1 P49773 1/20 0.30

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
SCHEMBL16658584 1.00 PRKACA (0.37) PRKACAPTGS1PTGS2CA2SLC2A1
SCHEMBL13943524 1.00 PRKACA (0.37) PRKACAPTGS1PTGS2CA2SLC2A1
SCHEMBL1857528 0.83 EPHX1 (0.47) PTGS1PTGS2ADORA1ACHE
SCHEMBL8913182 0.81 ACHE (0.51) PRKACAADORA1ACHE
SCHEMBL15927275 0.80 SLC2A1 (0.37) PRKACAPTGS1PTGS2CA2SLC2A1
SCHEMBL14172498 0.78 CA12 (0.45) CA2CA12CA1CA9
SCHEMBL13944870 0.75 PYGB (0.39) CA2CA12CA1CA9PYGB
SCHEMBL23652153 0.75 LGALS8 (0.41) CA2CA12CA1CA9
SCHEMBL16377897 0.75 LGALS8 (0.41) CA2CA12CA1CA9
SCHEMBL13944648 0.75 LGALS8 (0.41) CA2CA12CA1CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2862581-B1 Methods, compounds, compositions and vehicles for delivering 3-amino-1-propanesulfonic acid BHI LP (CA) 2021-08-11 — — EP 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
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
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 (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-20170095430-A1 METHODS, COMPOUNDS, COMPOSITIONS AND VEHICLES FOR DELIVERING 3-AMINO-1-PROPANESULFONIC ACID APP, PSEN1, PSEN2 PRKACA 4861/4885PTGS1 1684/4885PTGS2 2504/4885
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 PRKACA 3954/4885PTGS1 1116/4885PTGS2 1729/4885
US-20140220122-A1 METHODS, COMPOUNDS, COMPOSITIONS AND VEHICLES FOR DELIVERING 3-AMINO-1-PROPANESULFONIC ACID APP, PSEN1, PSEN2 PRKACA 4861/4885PTGS1 1684/4885PTGS2 2504/4885

“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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