SCHEMBL15927273

SCHEMBL15927273

CC(=O)O[C@H]1[C@H](C)[C@@H](COC(=O)NCCC[SH](=O)=O)OC(O)[C@@H]1OC(C)=O

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 9/20 0.34
▸ CA1 P00915 9/20 0.34
▸ CA2 P00918 9/20 0.34
▸ CA9 Q16790 9/20 0.34
▸ MAPT P10636 1/20 0.32
▸ CYP2D6 P10635 1/20 0.31
▸ THRB P10828 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ NR3C1 P04150 1/20 0.31
▸ FYN P06241 1/20 0.31
▸ ADRA2A P08913 1/20 0.31
▸ ADORA3 P0DMS8 1/20 0.31
▸ ADRA2B P18089 1/20 0.31
▸ DRD4 P21917 1/20 0.31
▸ DRD3 P35462 1/20 0.31
▸ LMNA P02545 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
SCHEMBL15927272 0.89 CYP2D6 (0.38) CA12CA1CA2CA9MAPT
SCHEMBL13938174 0.78 THRB (0.47) CA12CA1CA2CA9MAPT
SCHEMBL19396312 0.78 THRB (0.47) CA12CA1CA2CA9MAPT
SCHEMBL17521873 0.78 THRB (0.47) CA12CA1CA2CA9MAPT
SCHEMBL15927275 0.76 SLC2A1 (0.37) CA2
SCHEMBL14172498 0.74 CA12 (0.45) CA12CA1CA2CA9MAPT
SCHEMBL21454715 0.73 THRB (0.48) CA12CA1CA2CA9CYP2D6
SCHEMBL17521934 0.72 CA2 (0.43) CA12CA1CA2CA9MAPT
SCHEMBL15927236 0.70 CA12 (0.42) CA12CA1CA2CA9CYP2D6
SCHEMBL18272669 0.70 THRB (0.47) CA12CA1CA2CA9CYP2D6

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 4 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

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 CA12 1242/4885CA1 119/4885CA2 1659/4885
US-20240065990-A1 METHODS, COMPOUNDS, COMPOSITIONS AND VEHICLES FOR DELIVERING 3-AMINO-1-PROPANESULFONIC ACID APP, PSEN1, PSEN2 CA12 1224/4885CA1 109/4885CA2 1611/4885
US-20140220122-A1 METHODS, COMPOUNDS, COMPOSITIONS AND VEHICLES FOR DELIVERING 3-AMINO-1-PROPANESULFONIC ACID APP, PSEN1, PSEN2 CA12 1242/4885CA1 119/4885CA2 1659/4885

“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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