SCHEMBL14179221

SCHEMBL14179221

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OGA O60502 1/20 0.43
▸ CYP2D6 P10635 2/20 0.42
▸ THRB P10828 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ CA2 P00918 4/20 0.40
▸ PRKCA P17252 2/20 0.38
▸ PRKD3 O94806 1/20 0.38
▸ PRKCG P05129 1/20 0.38
▸ PRKCB P05771 1/20 0.38
▸ PRKCH P24723 1/20 0.38
▸ PRKCE Q02156 1/20 0.38
▸ PRKCQ Q04759 1/20 0.38
▸ PRKCD Q05655 1/20 0.38
▸ PRKD1 Q15139 1/20 0.38
▸ CD69 Q07108 1/20 0.37
▸ LGALS8 O00214 2/20 0.37
▸ CA12 O43570 3/20 0.35
▸ CA1 P00915 3/20 0.35
▸ CA4 P22748 3/20 0.35
▸ CA5A P35218 3/20 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
SCHEMBL19843964 0.95 OGA (0.41) OGACYP2D6THRBHSD17B10CA2
SCHEMBL13419004 0.90 LGALS8 (0.44) OGACYP2D6THRBHSD17B10CA2
SCHEMBL12410177 0.90 LGALS8 (0.44) OGACYP2D6THRBHSD17B10CA2
SCHEMBL26824172 0.90 OGA (0.40) OGACYP2D6THRBHSD17B10CA2
SCHEMBL14307748 0.87 CYP2D6 (0.49) OGACYP2D6THRBHSD17B10CA2
SCHEMBL17571769 0.87 CYP2D6 (0.49) OGACYP2D6THRBHSD17B10CA2
SCHEMBL3878862 0.87 CYP2D6 (0.49) OGACYP2D6THRBHSD17B10CA2
SCHEMBL1800607 0.87 CYP2D6 (0.49) OGACYP2D6THRBHSD17B10CA2
SCHEMBL1800610 0.87 CYP2D6 (0.49) OGACYP2D6THRBHSD17B10CA2
SCHEMBL1800609 0.87 CYP2D6 (0.49) OGACYP2D6THRBHSD17B10CA2

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 5 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-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-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 (4 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 OGA 638/4885CYP2D6 602/4885THRB 4606/4885
US-20240065990-A1 METHODS, COMPOUNDS, COMPOSITIONS AND VEHICLES FOR DELIVERING 3-AMINO-1-PROPANESULFONIC ACID APP, PSEN1, PSEN2 OGA 642/4885CYP2D6 637/4885THRB 4622/4885
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 OGA 785/4885CYP2D6 28/4885THRB 2061/4885
US-20140220122-A1 METHODS, COMPOUNDS, COMPOSITIONS AND VEHICLES FOR DELIVERING 3-AMINO-1-PROPANESULFONIC ACID APP, PSEN1, PSEN2 OGA 638/4885CYP2D6 602/4885THRB 4606/4885

“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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