SCHEMBL15927395

SCHEMBL15927395

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

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CA9 Q16790 14/20 0.38
▸ CA12 O43570 13/20 0.38
▸ CA1 P00915 13/20 0.38
▸ CA2 P00918 13/20 0.38
▸ 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
SCHEMBL15927260 0.90 CA9 (0.32) CA9CA12CA1CA2
SCHEMBL15927259 0.88 CA2 (0.38) CA9CA12CA1CA2EPHX2
SCHEMBL13944663 0.88 CA2 (0.38) CA9CA12CA1CA2EPHX2
SCHEMBL14172398 0.88 CA2 (0.38) CA9CA12CA1CA2EPHX2
SCHEMBL23740239 0.83 CA9 (0.34) CA9CA12CA1CA2
SCHEMBL22328424 0.81 OGA (0.33) CA9CA12CA1CA2
SCHEMBL14172498 0.79 CA12 (0.45) CA9CA12CA1CA2PKM
SCHEMBL15927229 0.78 OGA (0.33) CA9CA12CA1CA2
SCHEMBL14172408 0.74 OGA (0.38) CA9CA12CA1CA2EPHX2
SCHEMBL14172403 0.74 EPHX2 (0.33) EPHX2

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 CA9 1235/4885CA12 1242/4885CA1 119/4885

“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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