SCHEMBL1164563

SCHEMBL1164563

C=CCc1ccccc1OS(=O)(=O)CCC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
ALDH1A1 P00352 3/20 0.41
ADRB2 P07550 3/20 0.39
ADRB1 P08588 3/20 0.39
ADRA2C P18825 3/20 0.39
LMNA P02545 2/20 0.39
HTR1A P08908 2/20 0.39
ADRB3 P13945 1/20 0.39
SLC6A2 P23975 1/20 0.39
BDKRB2 P30411 1/20 0.39
SLC6A4 P31645 1/20 0.39
ADRA1A P35348 1/20 0.39
HTR2B P41595 1/20 0.39
KCNH2 Q12809 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
TSHR P16473 1/20 0.39
NFKB1 P19838 1/20 0.39
KDM4E B2RXH2 4/20 0.39

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
Ether SCHEMBL9336351 0.94 MAPT (0.39) MAPTTHRBALDH1A1ADRB2ADRB1
SCHEMBL10456573 0.89 THRB (0.44) MAPTTHRBALDH1A1ADRB2ADRB1
SCHEMBL11353993 0.83 ALDH1A1 (0.41) MAPTTHRBALDH1A1ADRB2ADRB1
SCHEMBL6169864 0.81 KDM4E (0.41) ALDH1A1ADRB2ADRB1ADRA2CLMNA
SCHEMBL29006872 0.81 ALDH1A1 (0.44) MAPTTHRBALDH1A1ADRB2ADRB1
SCHEMBL2422286 0.80 KDM4E (0.44) MAPTTHRBALDH1A1ADRB2ADRB1
SCHEMBL27593186 0.80 KDM4E (0.38) MAPTKDM4E
SCHEMBL6917892 0.79 ALDH1A1 (0.42) MAPTTHRBALDH1A1ADRB2ADRB1
SCHEMBL8769688 0.79 MAPT (0.41) MAPTTHRBALDH1A1ADRB2ADRB1
Ether SCHEMBL4296253 0.79 MAPT (0.41) MAPTTHRBALDH1A1ADRB2ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150266814-A1 METHODS, COMPOUNDS, AND COMPOSITIONS FOR DELIVERING 1,3-PROPANEDISULFONIC ACID BELLUS HEALTH (INTERNATIONAL) LIMITED (CH) 2015-09-24 US disclosed
US-9051248-B2 Methods, compounds, and compositions for delivering 1,3-propanedisulfonic acid BHI LIMITED PARTNERSHIP (CA) 2015-06-09 US disclosed
US-20120208850-A1 METHODS, COMPOUNDS, AND COMPOSITIONS FOR DELIVERING 1,3-PROPANEDISULFONIC ACID BELLUS HEALTH INC. (CA) 2012-08-16 US disclosed
EP-2464626-A1 METHODS, COMPOUNDS, AND COMPOSITIONS FOR DELIVERING 1,3-PROPAN ED ISULFONIC ACID Bellus Health Inc. (CA) 2012-06-20 EP disclosed
WO-2011017800-A1 METHODS, COMPOUNDS, AND COMPOSITIONS FOR DELIVERING 1,3-PROPAN ED ISULFONIC ACID BELLUS HEALTH (INTERNATIONAL) LIMITED (CH) 2011-02-17 WO 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-20120208850-A1 METHODS, COMPOUNDS, AND COMPOSITIONS FOR DELIVERING 1,3-PROPANEDISULFONIC ACID SGMS1, GSS, HPGDS MAPT 1216/4885THRB 4429/4885ALDH1A1 174/4885
US-20150266814-A1 METHODS, COMPOUNDS, AND COMPOSITIONS FOR DELIVERING 1,3-PROPANEDISULFONIC ACID SGMS1, GSS, HPGDS MAPT 1216/4885THRB 4429/4885ALDH1A1 174/4885

“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.