SCHEMBL15927264

SCHEMBL15927264

Cc1ccc(COC(=O)NCCCS(=O)(=O)O)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.49
TGM2 P21980 2/20 0.48
KEAP1 Q14145 3/20 0.45
NFE2L2 Q16236 3/20 0.45
TPSAB1 Q15661 1/20 0.44
TPSD1 Q9BZJ3 1/20 0.44
TPSG1 Q9NRR2 1/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP2C19 P33261 1/20 0.43
MMP2 P08253 2/20 0.43
MMP9 P14780 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
NAAA Q02083 1/20 0.43
MMP1 P03956 1/20 0.43
MMP12 P39900 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPT P10636 1/20 0.42

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
SCHEMBL917878 0.86 HTT (0.67) HTTTGM2KEAP1NFE2L2LMNA
SCHEMBL917788 0.84 HTT (0.65) HTTTGM2KEAP1NFE2L2LMNA
SCHEMBL13944213 0.84 HTT (0.45) HTTTGM2KEAP1NFE2L2TPSAB1
SCHEMBL15601764 0.84 HSP90AA1 (0.49) HTTTGM2KEAP1NFE2L2LMNA
SCHEMBL3820663 0.83 HTT (0.44) HTTTGM2KEAP1NFE2L2TPSAB1
SCHEMBL3309927 0.83 HTT (0.67) HTTTGM2KEAP1NFE2L2LMNA
SCHEMBL9830594 0.82 HTT (0.69) HTTTGM2KEAP1NFE2L2LMNA
SCHEMBL918470 0.82 HTT (0.65) HTTTGM2KEAP1NFE2L2LMNA
SCHEMBL9829906 0.81 HTT (0.68) HTTTGM2KEAP1NFE2L2LMNA
SCHEMBL13871818 0.80 MAPT (0.55) L3MBTL1MAPT

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 HTT 19/4885TGM2 2195/4885KEAP1 1200/4885
US-20240065990-A1 METHODS, COMPOUNDS, COMPOSITIONS AND VEHICLES FOR DELIVERING 3-AMINO-1-PROPANESULFONIC ACID APP, PSEN1, PSEN2 HTT 19/4885TGM2 2129/4885KEAP1 1331/4885
US-20140220122-A1 METHODS, COMPOUNDS, COMPOSITIONS AND VEHICLES FOR DELIVERING 3-AMINO-1-PROPANESULFONIC ACID APP, PSEN1, PSEN2 HTT 19/4885TGM2 2195/4885KEAP1 1200/4885

“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.