SCHEMBL6686920

SCHEMBL6686920

OCC1OC(Nc2ccc(Br)cc2)C(O)C(O)C1O

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.66
CA1 P00915 8/20 0.64
CA2 P00918 8/20 0.64
NPC1 O15118 1/20 0.64
RAB9A P51151 1/20 0.64
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
POLB P06746 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
PYGB P11216 3/20 0.45
SLC5A2 P31639 1/20 0.45
CA12 O43570 2/20 0.44
CA9 Q16790 2/20 0.44
CA14 Q9ULX7 2/20 0.44

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
SCHEMBL13680075 0.84 CA1 (0.68) TSHRCA1CA2NPC1RAB9A
SCHEMBL6672229 0.84 TSHR (0.70) TSHRCA1CA2NPC1RAB9A
SCHEMBL6675392 0.84 TSHR (0.66) TSHRCA1CA2NPC1RAB9A
SCHEMBL30003604 0.84 TSHR (0.70) TSHRCA1CA2NPC1RAB9A
SCHEMBL14478652 0.84 NPC1 (0.76) TSHRCA1CA2NPC1RAB9A
SCHEMBL2573470 0.84 NPC1 (0.76) TSHRCA1CA2NPC1RAB9A
SCHEMBL14353200 0.84 NPC1 (0.76) TSHRCA1CA2NPC1RAB9A
SCHEMBL2573474 0.84 NPC1 (0.76) TSHRCA1CA2NPC1RAB9A
SCHEMBL7151298 0.84 NPC1 (0.76) TSHRCA1CA2NPC1RAB9A
SCHEMBL6675183 0.84 NPC1 (0.76) TSHRCA1CA2NPC1RAB9A

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-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
WO-2004037159-A2 COMPOUNDS, COMPOSITIONS AND METHODS FOR MODULATING FAT METABOLISM OBETHERAPY BIOTECHNOLOGY (FR) 2004-05-06 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 (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 TSHR 468/4885CA1 2317/4885CA2 1937/4885
US-20110028719-A1 SCREENING METHODS FOR AMYLOID BETA MODULATORS APP, BACE1, IAPP TSHR 4310/4885CA1 723/4885CA2 2496/4885
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 TSHR 651/4885CA1 3771/4885CA2 2291/4885
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 TSHR 703/4885CA1 3722/4885CA2 2349/4885
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 TSHR 468/4885CA1 2317/4885CA2 1937/4885

“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.