SCHEMBL12858645

SCHEMBL12858645

CC(C)C(=O)O[C@H]1[C@H](OC(=O)C(C)C)[C@@H](OC(=O)C(C)C)[C@H](OC(=O)C(C)C)[C@@H](OC(=O)C(C)C)[C@H]1OC(=O)C(C)C

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.33
ALOX15 P16050 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TSHR P16473 1/20 0.30

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
SCHEMBL1149615 1.00 ELANE (0.33) ELANEALOX15SMN1; SMN2TSHR
SCHEMBL1150040 0.89
SCHEMBL12858079 0.89
SCHEMBL3653982 0.87 ITPR3 (0.31)
SCHEMBL3080276 0.82 ITPR3 (0.46)
SCHEMBL3073352 0.82 ITPR3 (0.46)
SCHEMBL21615870 0.77 CA9 (0.34)
SCHEMBL21615903 0.77 CA9 (0.34)
SCHEMBL9608684 0.77 HSD11B1 (0.46)
SCHEMBL21615910 0.76 CA9 (0.33)

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
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-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-20110028719-A1 SCREENING METHODS FOR AMYLOID BETA MODULATORS WARATAH PHARMACEUTICALS INC. (CA) 2011-02-03 US disclosed
US-20100105631-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. 2010-04-29 US disclosed
US-20100105631-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. 2010-04-29 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
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
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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-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 ELANE 2139/4885ALOX15 604/4885SMN1; SMN2 86/4885
US-20110028719-A1 SCREENING METHODS FOR AMYLOID BETA MODULATORS APP, BACE1, IAPP ELANE 1489/4885ALOX15 3140/4885SMN1; SMN2 2222/4885
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 ELANE 3263/4885ALOX15 181/4885SMN1; SMN2 71/4885
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 ELANE 3237/4885ALOX15 160/4885SMN1; SMN2 79/4885
US-20100105631-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 ELANE 2139/4885ALOX15 604/4885SMN1; SMN2 86/4885

“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.