SCHEMBL1896071

SCHEMBL1896071

O=S(=O)(OCCCCCO)OCCCCCO

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 15/20 0.46
CA2 P00918 15/20 0.46
CA9 Q16790 14/20 0.46
CA12 O43570 5/20 0.46
CA7 P43166 5/20 0.46
CA14 Q9ULX7 5/20 0.46
CA3 P07451 4/20 0.46
CA4 P22748 4/20 0.46
CA6 P23280 4/20 0.46
CA5A P35218 4/20 0.46
CA5B Q9Y2D0 4/20 0.46
TSHR P16473 2/20 0.42
KDM4E B2RXH2 1/20 0.42
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
MMP9 P14780 1/20 0.42
ALOX15 P16050 1/20 0.42
RECQL P46063 2/20 0.37
GLA P06280 1/20 0.37

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
SCHEMBL923072 0.97 CA1 (0.43) CA1CA2CA9CA12CA7
SCHEMBL710962 0.89 CA1 (0.39) CA1CA2CA9CA12CA7
SCHEMBL2786484 0.89 CA1 (0.55) CA1CA2CA9CA12CA7
Decanol SCHEMBL11435759 0.89 CA1 (0.55) CA1CA2CA9CA12CA7
Octanol SCHEMBL11435654 0.89 CA1 (0.55) CA1CA2CA9CA12CA7
SCHEMBL923629 0.84 CA1 (0.38) CA1CA2CA9CA12CA7
SCHEMBL17443155 0.84 CA1 (0.36) CA1CA2CA9CA12CA7
SCHEMBL6273927 0.83 CA1 (0.53) CA1CA2CA9CA12CA7
Ammonia Solution, Strong SCHEMBL28675674 0.83 CA1 (0.53) CA1CA2CA9CA12CA7
SCHEMBL11587906 0.82 FNTA (0.47) CA1CA2CA9CA12CA7

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140155480-A1 Scyllo-Inositol Derivatives and Their Use in the Treatment of Diseases Characterized by Abnormal Protein Folding or Aggregation of Amyloid Formation, Deposition, Accumulation for Persistence WARATAH PHARMACEUTICALS INC. (CA) 2014-06-05 US disclosed
US-20140135403-A1 USE OF CYCLOHEXANEHEXOL DERIVATIVES IN THE TREATMENT OF OCULAR DISEASES WARATAH PHARMACEUTICALS INC. (CA) 2014-05-15 US disclosed
EP-2656839-A1 Use of Cyclohexanehexol Derivatives in the Treatment of Ocular Diseases Waratah Pharmaceuticals, Inc. (CA) 2013-10-30 EP disclosed
US-20110105626-A1 USE OF CYCLOHEXANEHEXOL DERIVATIVES FOR THE TREATMENT OF POLYGLUTAMINE DISEASES MCLAURIN JOANNE 2011-05-05 US disclosed
US-20100331267-A1 USE OF CYCLOHEXANEHEXOL DERIVATIVES IN THE TREATMENT OF ALPHA-SYNUCLEINOPATHIES MCLAURIN JOANNE 2010-12-30 US disclosed
US-20100292157-A1 Combination Treatments for Alzheimer's Disease and Similar Diseases WARATAH PHARMACEUTICALS INC. (CA) 2010-11-18 US disclosed
US-20100173960-A1 The Combination of a Cyclohexanehexol and a NSAID for the Treatment of Neurodegenerative Diseases WARATAH PHARMACEUTICALS INC. (CA) 2010-07-08 US disclosed
US-20100168250-A1 USE OF CYCLOHEXANEHEXOL DERIVATIVES IN THE TREATMENT OF OCULAR DISEASE WARATAH PHARMACEUTICALS INC. (CA) 2010-07-01 US disclosed
US-20100144891-A1 USE OF CYCLOHEXANEHEXOL DERIVATIVES IN THE TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS MCLAURIN JOANNE 2010-06-10 US disclosed
US-20100113613-A1 CYCLOHEXANE POLYALCOHOL FORMULATION FOR TREATMENT OF DISORDERS OF PROTEIN AGGREGATION WARATAH PHARMACEUTICALS (CA) 2010-05-06 US disclosed
US-20090170957-A1 SCYLLO-INOSITOL DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASES CHARACTERIZED BY ABNORMAL PROTEIN FOLDING OR AGGREGATION OR AMYLOID FORMATION, DEPOSITION, ACCUMULATION OR PERSISTENCE WARATAH PHARMACEUTICALS INC. (CA) 2009-07-02 US disclosed
EP-1996175-A4 A CYCLOHEXANE POLYALCOHOL FORMULATION FOR TREATMENT OF DISORDERS OF PROTEIN AGGREGATION WARATAH PHARMACEUTICALS INC (CA) 2009-06-10 EP disclosed
EP-1996175-A1 A CYCLOHEXANE POLYALCOHOL FORMULATION FOR TREATMENT OF DISORDERS OF PROTEIN AGGREGATION Waratah Pharmaceuticals, Inc. (CA) 2008-12-03 EP disclosed
WO-2008124931-A1 USE OF CYCLOHEXANEHEXOL DERIVATIVES IN THE TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS MCLAURIN JOANNE (CA) 2008-10-23 WO disclosed
WO-2008124929-A1 USE OF CYCLOHEXANEHEXOL DERIVATIVES IN THE TREATMENT OF α-SYNUCLEINOPATHIES MCLAURIN JOANNE (CA) 2008-10-23 WO disclosed
WO-2008124930-A1 USE OF CYCLOHEXANEHEXOL DERIVATIVES FOR THE TREATMENT OF POLYGLUTAMINE DISEASES MCLAURIN JOANNE (CA) 2008-10-23 WO disclosed
WO-2008034244-A1 THE COMBINATION OF A CYCLOHEXANEHEXOL AND A NSAID FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES WARATAH PHARMACEUTICALS INC. (CA) 2008-03-27 WO disclosed
WO-2007101353-A1 A CYCLOHEXANE POLYALCOHOL FORMULATION FOR TREATMENT OF DISORDERS OF PROTEIN AGGREGATION WARATAH PHARMACEUTICALS INC. (CA) 2007-09-13 WO disclosed
US-20070111970-A1 Inositol compounds and uses of same in the treatment of diseases characterized by abnormal protein folding or aggregation or amyloid formation, desposition, accumulation or persistence WARATAH PHARMACEUTICALS INC. (CA) 2007-05-17 US disclosed
WO-2007041855-A1 SCYLLO-INOSITOL DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASES CHARACTERISED BY ABNORMAL PROTEIN FOLDING OR AGGREGATION OR AMYLOID FORMATION, DEPOSITION, ACCUMULATION OR PERSISTENCE WARATAH PHARMACEUTICALS, INC. (CA) 2007-04-19 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 (11 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-20100331267-A1 USE OF CYCLOHEXANEHEXOL DERIVATIVES IN THE TREATMENT OF ALPHA-SYNUCLEINOPATHIES SNCA, PARK7, PMP22 CA1 2680/4885CA2 2600/4885CA9 4483/4885
US-20110105626-A1 USE OF CYCLOHEXANEHEXOL DERIVATIVES FOR THE TREATMENT OF POLYGLUTAMINE DISEASES CDR2, HYPK, HTT CA1 4311/4885CA2 4000/4885CA9 4636/4885
US-20100168250-A1 USE OF CYCLOHEXANEHEXOL DERIVATIVES IN THE TREATMENT OF OCULAR DISEASE APP, IAPP, TTR CA1 1492/4885CA2 1036/4885CA9 2127/4885
US-20100292157-A1 Combination Treatments for Alzheimer's Disease and Similar Diseases APP, PSEN1, BACE1 CA1 699/4885CA2 1837/4885CA9 4038/4885
US-20070111970-A1 Inositol compounds and uses of same in the treatment of diseases characterized by abnormal protein folding or aggregation or amyloid formation, desposition, accumulation or persistence SCLY, SMOX, SMS CA1 2317/4885CA2 1937/4885CA9 4408/4885
US-20100173960-A1 The Combination of a Cyclohexanehexol and a NSAID for the Treatment of Neurodegenerative Diseases HTT, APP, PSEN2 CA1 1175/4885CA2 1438/4885CA9 2967/4885
US-20090170957-A1 SCYLLO-INOSITOL DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASES CHARACTERIZED BY ABNORMAL PROTEIN FOLDING OR AGGREGATION OR AMYLOID FORMATION, DEPOSITION, ACCUMULATION OR PERSISTENCE SCLY, SCO2, SGMS2 CA1 3771/4885CA2 2291/4885CA9 4151/4885
US-20140135403-A1 USE OF CYCLOHEXANEHEXOL DERIVATIVES IN THE TREATMENT OF OCULAR DISEASES APP, IAPP, TTR CA1 1602/4885CA2 1094/4885CA9 2105/4885
US-20100144891-A1 USE OF CYCLOHEXANEHEXOL DERIVATIVES IN THE TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS SOD1, SOD3, SMN1; SMN2 CA1 487/4885CA2 886/4885CA9 3194/4885
US-20140155480-A1 Scyllo-Inositol Derivatives and Their Use in the Treatment of Diseases Characterized by Abnormal Protein Folding or Aggregation of Amyloid Formation, Deposition, Accumulation for Persistence SCLY, SCO2, SGMS2 CA1 3722/4885CA2 2349/4885CA9 4180/4885
US-20100113613-A1 CYCLOHEXANE POLYALCOHOL FORMULATION FOR TREATMENT OF DISORDERS OF PROTEIN AGGREGATION APP, MAPT, HTT CA1 3000/4885CA2 3669/4885CA9 4352/4885

“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.