SCHEMBL15927240

SCHEMBL15927240

NNCC(=O)C(=O)CNCCCS(=O)(=O)O

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.39
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
EPHX2 P34913 1/20 0.34
LMNA P02545 1/20 0.32
SLC6A6 P31641 1/20 0.32
CYP2C19 P33261 1/20 0.32
BLM P54132 1/20 0.32
CYP2D6 P10635 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
SCHEMBL354221 0.79 MAOA (0.59) APPMAOAMAOBEPHX2LMNA
SCHEMBL918371 0.76 APP (0.39) APPMAOAMAOBEPHX2
SCHEMBL7079876 0.75
SCHEMBL918312 0.75 APP (0.50) APPEPHX2LMNASLC6A6CYP2C19
SCHEMBL12531321 0.75 EPHX2 (0.40) APPMAOAMAOBEPHX2LMNA
SCHEMBL17266136 0.73 APP (0.44) APPMAOAMAOBEPHX2LMNA
SCHEMBL2121438 0.73 APP (0.48) APPEPHX2LMNASLC6A6CYP2C19
SCHEMBL30298818 0.72 PAOX (0.39) APPMAOAMAOBEPHX2
SCHEMBL791530 0.71 APP (0.61) APPLMNASLC6A6CYP2C19BLM
SCHEMBL8003859 0.71 APP (0.52) APPEPHX2LMNASLC6A6CYP2C19

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-20240065990-A1 METHODS, COMPOUNDS, COMPOSITIONS AND VEHICLES FOR DELIVERING 3-AMINO-1-PROPANESULFONIC ACID BELLUS HEALTH INC (CA) 2024-02-29 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-20240065990-A1 METHODS, COMPOUNDS, COMPOSITIONS AND VEHICLES FOR DELIVERING 3-AMINO-1-PROPANESULFONIC ACID APP, PSEN1, PSEN2 APP 1/4885MAOA 1228/4885MAOB 1956/4885
US-20140220122-A1 METHODS, COMPOUNDS, COMPOSITIONS AND VEHICLES FOR DELIVERING 3-AMINO-1-PROPANESULFONIC ACID APP, PSEN1, PSEN2 APP 1/4885MAOA 1188/4885MAOB 1919/4885

“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.