Sugi Predict

Sugi Predict / Compounds / SCHEMBL11979486

SCHEMBL11979486

SCHEMBL11979486

O=S(=O)(CCCS(=O)(=O)OCC12CC3CC(CC(C3)C1)C2)OCC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.41
▸ CA12 O43570 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ GRIN2D O15399 4/20 0.35
▸ GRIN3B O60391 4/20 0.35
▸ GRIN1 Q05586 4/20 0.35
▸ GRIN2A Q12879 4/20 0.35
▸ GRIN2B Q13224 4/20 0.35
▸ GRIN2C Q14957 4/20 0.35
▸ GRIN3A Q8TCU5 4/20 0.35
▸ GBA2 Q9HCG7 1/20 0.35
▸ SCN9A Q15858 1/20 0.33
▸ EPHX2 P34913 6/20 0.33
▸ TSHR P16473 1/20 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
SCHEMBL11979412 0.92 ALDH1A1 (0.40) ALDH1A1CA12CA1CA2CA9
SCHEMBL13875115 0.76 GRIN2D (0.43) ALDH1A1CA12CA1CA2CA9
SCHEMBL16140231 0.74 SCN9A (0.32) ALDH1A1CA12CA1CA2CA9
SCHEMBL2747141 0.72 CA12 (0.37) ALDH1A1CA12CA1CA2CA9
SCHEMBL17430837 0.72 ALDH1A1 (0.40) ALDH1A1CA12CA1CA2CA9
SCHEMBL24361303 0.69 ALDH1A1 (0.41) ALDH1A1MEN1KMT2AL3MBTL1SCN9A
SCHEMBL19102325 0.68 ALDH1A1 (0.37) ALDH1A1CA12CA1CA2CA9
SCHEMBL16683713 0.67 GBA2 (0.49) GBA2
SCHEMBL19023489 0.67 ALDH1A1 (0.37) ALDH1A1CA12CA1CA2CA9
SCHEMBL5095244 0.67 GRIN2D (0.50) ALDH1A1CA12CA1CA2CA9

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 6 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-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

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 ALDH1A1 174/4885CA12 2211/4885CA1 1272/4885
US-20150266814-A1 METHODS, COMPOUNDS, AND COMPOSITIONS FOR DELIVERING 1,3-PROPANEDISULFONIC ACID SGMS1, GSS, HPGDS ALDH1A1 174/4885CA12 2211/4885CA1 1272/4885

“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.