SCHEMBL15927259

SCHEMBL15927259

CC(=O)OC1O[C@H](C(=O)NCCCS(=O)(=O)O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 15/20 0.38
▸ CA9 Q16790 15/20 0.38
▸ CA12 O43570 14/20 0.38
▸ CA1 P00915 14/20 0.38
▸ OGA O60502 1/20 0.34
▸ CYP2D6 P10635 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ CA14 Q9ULX7 1/20 0.31
▸ EPHX2 P34913 1/20 0.31
▸ PKM P14618 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
SCHEMBL14172398 1.00 CA2 (0.38) CA2CA9CA12CA1OGA
SCHEMBL13944663 1.00 CA2 (0.38) CA2CA9CA12CA1OGA
SCHEMBL15927229 0.90 OGA (0.33) CA2CA9CA12CA1OGA
SCHEMBL22328424 0.90 OGA (0.33) CA2CA9CA12CA1OGA
SCHEMBL23740239 0.90 CA9 (0.34) CA2CA9CA12CA1OGA
SCHEMBL15927395 0.88 CA9 (0.38) CA2CA9CA12CA1EPHX2
SCHEMBL14172408 0.85 OGA (0.38) CA2CA9CA12CA1OGA
SCHEMBL20873283 0.81 OGA (0.35) CA2CA9CA12CA1OGA
SCHEMBL14172499 0.79 CA2 (0.48) CA2CA9CA12CA1CYP2D6
SCHEMBL13943528 0.79 CA2 (0.48) CA2CA9CA12CA1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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-20140220122-A1 METHODS, COMPOUNDS, COMPOSITIONS AND VEHICLES FOR DELIVERING 3-AMINO-1-PROPANESULFONIC ACID APP, PSEN1, PSEN2 CA2 1659/4885CA9 1235/4885CA12 1242/4885

“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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