SCHEMBL15927272

SCHEMBL15927272

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

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 2/20 0.38
▸ THRB P10828 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ CA2 P00918 11/20 0.36
▸ LMNA P02545 2/20 0.36
▸ CA12 O43570 10/20 0.34
▸ CA9 Q16790 10/20 0.34
▸ CA1 P00915 9/20 0.34
▸ MAPT P10636 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ CA14 Q9ULX7 2/20 0.32
▸ OGA O60502 1/20 0.31
▸ KMT2A Q03164 1/20 0.31

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
SCHEMBL15927273 0.89 CA12 (0.34) CYP2D6THRBHSD17B10CA2LMNA
SCHEMBL9925403 0.78 CYP2D6 (0.57) CYP2D6THRBHSD17B10CA2LMNA
SCHEMBL29324991 0.78 CYP2D6 (0.57) CYP2D6THRBHSD17B10CA2LMNA
SCHEMBL15102101 0.78 CYP2D6 (0.57) CYP2D6THRBHSD17B10CA2LMNA
SCHEMBL15444975 0.78 CYP2D6 (0.57) CYP2D6THRBHSD17B10CA2LMNA
SCHEMBL16169885 0.78 CYP2D6 (0.57) CYP2D6THRBHSD17B10CA2LMNA
SCHEMBL19396308 0.78 CYP2D6 (0.57) CYP2D6THRBHSD17B10CA2LMNA
SCHEMBL10819141 0.78 CYP2D6 (0.57) CYP2D6THRBHSD17B10CA2LMNA
SCHEMBL15444981 0.78 CYP2D6 (0.57) CYP2D6THRBHSD17B10CA2LMNA
SCHEMBL13944649 0.75 CA2 (0.40) CYP2D6THRBHSD17B10CA2LMNA

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 CYP2D6 602/4885THRB 4606/4885HSD17B10 1487/4885
US-20240065990-A1 METHODS, COMPOUNDS, COMPOSITIONS AND VEHICLES FOR DELIVERING 3-AMINO-1-PROPANESULFONIC ACID APP, PSEN1, PSEN2 CYP2D6 637/4885THRB 4622/4885HSD17B10 1477/4885
US-20140220122-A1 METHODS, COMPOUNDS, COMPOSITIONS AND VEHICLES FOR DELIVERING 3-AMINO-1-PROPANESULFONIC ACID APP, PSEN1, PSEN2 CYP2D6 602/4885THRB 4606/4885HSD17B10 1487/4885

“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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