SCHEMBL11979583

SCHEMBL11979583

O=S(=O)(O)CCCS(=O)(=O)OCCCOS(=O)(=O)CCCS(=O)(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.42
LMNA P02545 2/20 0.35
PTGS1 P23219 1/20 0.35
PDE4A P27815 1/20 0.35
SLC6A6 P31641 1/20 0.35
CYP2C19 P33261 1/20 0.35
BLM P54132 1/20 0.35
CA1 P00915 7/20 0.33
CA2 P00918 7/20 0.33
CA9 Q16790 7/20 0.33
KDM4E B2RXH2 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MMP9 P14780 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
CA12 O43570 2/20 0.32
CA3 P07451 2/20 0.32
CA4 P22748 2/20 0.32
CA6 P23280 2/20 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
SCHEMBL29170917 0.95 APP (0.42) APPLMNAPTGS1PDE4ASLC6A6
SCHEMBL29104749 0.93 APP (0.44) APPLMNAPTGS1PDE4ASLC6A6
SCHEMBL29170914 0.88 APP (0.39) APPLMNAPTGS1PDE4ASLC6A6
SCHEMBL9859212 0.85 APP (0.38) APPLMNAPTGS1PDE4ASLC6A6
SCHEMBL14975445 0.83 APP (0.44) APPLMNAPTGS1PDE4ASLC6A6
SCHEMBL419120 0.83 PTGS1 (0.44) APPLMNAPTGS1PDE4ASLC6A6
SCHEMBL21492993 0.83 APP (0.37) APPLMNAPTGS1PDE4ASLC6A6
Ethylene SCHEMBL27491736 0.81 CA1 (0.39) APPCA1CA2CA9CA12
SCHEMBL11979586 0.81 APP (0.37) APPLMNASLC6A6CYP2C19BLM
SCHEMBL5834653 0.80 CA1 (0.39) APPLMNAPTGS1PDE4ASLC6A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114144407-B Process for producing cyclic disulfonate compound 住友精化株式会社 2024-02-13 CN disclosed
CN-114144407-A Process for producing cyclic disulfonate compound 住友精化株式会社 2022-03-04 CN disclosed
US-20150266814-A1 METHODS, COMPOUNDS, AND COMPOSITIONS FOR DELIVERING 1,3-PROPANEDISULFONIC ACID BELLUS HEALTH (INTERNATIONAL) LIMITED (CH) 2015-09-24 US disclosed
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-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
US-20120208850-A1 METHODS, COMPOUNDS, AND COMPOSITIONS FOR DELIVERING 1,3-PROPANEDISULFONIC ACID BELLUS HEALTH INC. (CA) 2012-08-16 US 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 APP 113/4885LMNA 1507/4885PTGS1 264/4885
US-20150266814-A1 METHODS, COMPOUNDS, AND COMPOSITIONS FOR DELIVERING 1,3-PROPANEDISULFONIC ACID SGMS1, GSS, HPGDS APP 113/4885LMNA 1507/4885PTGS1 264/4885

“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.