SCHEMBL15927287

SCHEMBL15927287

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

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.35
▸ FGF1 P05230 10/20 0.35
▸ HPSE Q9Y251 7/20 0.35
▸ VEGFA P15692 5/20 0.35
▸ FGF2 P09038 3/20 0.35
▸ CA2 P00918 5/20 0.32
▸ CA12 O43570 4/20 0.32
▸ CA1 P00915 4/20 0.32
▸ CA9 Q16790 4/20 0.32

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
SCHEMBL14172492 0.84 CA2 (0.49) CA2CA12CA1CA9
SCHEMBL16377903 0.84 CA2 (0.49) CA2CA12CA1CA9
SCHEMBL13448889 0.76 CYP2D6 (0.38) FGF1HPSEVEGFAFGF2CA2
SCHEMBL13964922 0.75 CYP2D6 (0.36) FGF1HPSEFGF2CA2
SCHEMBL13448882 0.75 CYP2D6 (0.36) FGF1HPSEFGF2CA2
SCHEMBL13448901 0.75 CYP2D6 (0.36) FGF1HPSEFGF2CA2
SCHEMBL27097857 0.75 HPSE (0.30) FGF1HPSEFGF2
SCHEMBL13448900 0.75 CYP2D6 (0.37) CA2
SCHEMBL13964921 0.75 CYP2D6 (0.37) CA2
SCHEMBL13448880 0.75 CYP2D6 (0.37) CA2

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 EPHX2 495/4885FGF1 2565/4885HPSE 823/4885
US-20240065990-A1 METHODS, COMPOUNDS, COMPOSITIONS AND VEHICLES FOR DELIVERING 3-AMINO-1-PROPANESULFONIC ACID APP, PSEN1, PSEN2 EPHX2 489/4885FGF1 2459/4885HPSE 794/4885
US-20140220122-A1 METHODS, COMPOUNDS, COMPOSITIONS AND VEHICLES FOR DELIVERING 3-AMINO-1-PROPANESULFONIC ACID APP, PSEN1, PSEN2 EPHX2 495/4885FGF1 2565/4885HPSE 823/4885

“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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