SCHEMBL15927275

SCHEMBL15927275

O=C(NCCC[SH](=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 10)

geneUniProtsupporting neighboursconfidence
▸ SLC2A1 P11166 1/20 0.37
▸ PRKACA P17612 2/20 0.37
▸ PTGS1 P23219 2/20 0.35
▸ PTGS2 P35354 2/20 0.35
▸ ADORA1 P30542 2/20 0.33
▸ PYGB P11216 1/20 0.32
▸ ACHE P22303 1/20 0.31
▸ CA2 P00918 1/20 0.30
▸ HINT1 P49773 1/20 0.30
▸ TLR4 O00206 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
SCHEMBL8913182 0.82 ACHE (0.51) PRKACAADORA1ACHETLR4
SCHEMBL1857528 0.81 EPHX1 (0.47) PTGS1PTGS2ADORA1ACHETLR4
SCHEMBL16658584 0.80 PRKACA (0.37) SLC2A1PRKACAPTGS1PTGS2ADORA1
SCHEMBL14172497 0.80 PRKACA (0.37) SLC2A1PRKACAPTGS1PTGS2ADORA1
SCHEMBL13943524 0.80 PRKACA (0.37) SLC2A1PRKACAPTGS1PTGS2ADORA1
SCHEMBL15927273 0.76 CA12 (0.34) CA2
SCHEMBL23867559 0.73 PYGB (0.41) SLC2A1PTGS1PTGS2ADORA1PYGB
SCHEMBL25167911 0.70 SLC2A1 (0.41) SLC2A1PTGS1PTGS2PYGBCA2
SCHEMBL25167912 0.70 SLC2A1 (0.41) SLC2A1PTGS1PTGS2PYGBCA2
SCHEMBL3635575 0.69 EPHX1 (0.47) ADORA1ACHETLR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (2 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 SLC2A1 214/4885PRKACA 4861/4885PTGS1 1684/4885
US-20140220122-A1 METHODS, COMPOUNDS, COMPOSITIONS AND VEHICLES FOR DELIVERING 3-AMINO-1-PROPANESULFONIC ACID APP, PSEN1, PSEN2 SLC2A1 214/4885PRKACA 4861/4885PTGS1 1684/4885

“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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