SCHEMBL22328414

SCHEMBL22328414

O=C(NCCCS(=O)(=O)O)NCCOC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ LGALS8 O00214 2/20 0.40
▸ LGALS3 P17931 2/20 0.40
▸ LGALS4 P56470 2/20 0.40
▸ MAPK1 P28482 1/20 0.39
▸ MMP13 P45452 2/20 0.39
▸ MMP1 P03956 1/20 0.39
▸ MMP7 P09237 1/20 0.39
▸ MMP8 P22894 1/20 0.39
▸ MMP12 P39900 1/20 0.39
▸ CA12 O43570 2/20 0.38
▸ CA1 P00915 2/20 0.38
▸ CA2 P00918 2/20 0.38
▸ CA9 Q16790 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ MAOB P27338 1/20 0.38
▸ IGF2R P11717 1/20 0.37

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
SCHEMBL16658408 1.00 LGALS8 (0.40) LGALS8LGALS3LGALS4MAPK1MMP13
SCHEMBL13944872 1.00 LGALS8 (0.40) LGALS8LGALS3LGALS4MAPK1MMP13
SCHEMBL23652175 0.90 MAPK1 (0.39) LGALS8LGALS3LGALS4MAPK1MMP13
SCHEMBL13944866 0.87 LGALS8 (0.38) LGALS8LGALS3LGALS4MAPK1MMP13
SCHEMBL13944648 0.85 LGALS8 (0.41) LGALS8LGALS3LGALS4MAPK1MMP13
SCHEMBL16377897 0.85 LGALS8 (0.41) LGALS8LGALS3LGALS4MAPK1MMP13
SCHEMBL23652153 0.85 LGALS8 (0.41) LGALS8LGALS3LGALS4MAPK1MMP13
SCHEMBL14179238 0.83 IGF2R (0.49) LGALS8LGALS3LGALS4MAPK1GAA
SCHEMBL13944870 0.81 PYGB (0.39) LGALS8CA12CA1CA2CA9
SCHEMBL23652112 0.80 GAA (0.40) CA12CA1CA2CA9GAA

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-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
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-20200253897-A1 METHODS, COMPOUNDS, COMPOSITIONS AND VEHICLES FOR DELIVERING 3-AMINO-1-PROPANESULFONIC ACID BELLUS HEALTH (INTERNATIONAL) LIMITED (CH) 2020-08-13 — — 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-20240065990-A1 METHODS, COMPOUNDS, COMPOSITIONS AND VEHICLES FOR DELIVERING 3-AMINO-1-PROPANESULFONIC ACID APP, PSEN1, PSEN2 LGALS8 2126/4885LGALS3 458/4885LGALS4 1832/4885
US-11020360-B2 Methods, compounds, compositions and vehicles for delivering 3-amino-1-propanesulfonic acid APP, PSEN1, DNPEP LGALS8 2313/4885LGALS3 552/4885LGALS4 2028/4885
US-20210386693-A1 METHODS, COMPOUNDS, COMPOSITIONS AND VEHICLES FOR DELIVERING 3-AMINO-1-PROPANESULFONIC ACID APP, PSEN1, PSEN2 LGALS8 2190/4885LGALS3 496/4885LGALS4 1970/4885
US-20200253897-A1 METHODS, COMPOUNDS, COMPOSITIONS AND VEHICLES FOR DELIVERING 3-AMINO-1-PROPANESULFONIC ACID APP, PSEN1, PSEN2 LGALS8 2190/4885LGALS3 496/4885LGALS4 1970/4885

“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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