SCHEMBL12858883

SCHEMBL12858883

CC1CCCC(NC(=O)c2csc3c2CCCC3)C1C

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.62
ALDH1A1 P00352 4/20 0.62
HTT P42858 3/20 0.62
L3MBTL1 Q9Y468 2/20 0.62
ATM Q13315 1/20 0.52
TAS1R3 Q7RTX0 5/20 0.51
TAS1R1 Q7RTX1 5/20 0.51
TAS1R2 Q8TE23 4/20 0.51
SMN1; SMN2 Q16637 4/20 0.50
NPC1 O15118 3/20 0.49
MAPT P10636 2/20 0.49
RAB9A P51151 2/20 0.49
POLB P06746 1/20 0.48
MAPK1 P28482 1/20 0.47
NFKB1 P19838 1/20 0.46
CASP3 P42574 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
SENP7 Q9BQF6 1/20 0.46

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
SCHEMBL3455342 0.76 HPGD (0.97) HPGDALDH1A1HTTL3MBTL1SMN1; SMN2
SCHEMBL3456749 0.76 HPGD (0.97) HPGDALDH1A1HTTL3MBTL1SMN1; SMN2
SCHEMBL12858751 0.70 TAS1R3 (0.67) ALDH1A1L3MBTL1ATMTAS1R3TAS1R1
SCHEMBL517182 0.70 NPC1 (0.68) HPGDALDH1A1L3MBTL1ATMTAS1R3
SCHEMBL2915377 0.70 TAS1R3 (0.66) L3MBTL1ATMTAS1R3TAS1R1TAS1R2
SCHEMBL7217593 0.70 HPGD (0.76) HPGDALDH1A1HTTL3MBTL1SMN1; SMN2
SCHEMBL21597467 0.69 HPGD (0.72) HPGDALDH1A1HTTL3MBTL1SMN1; SMN2
SCHEMBL10367333 0.68 SMN1; SMN2 (0.59) HPGDALDH1A1HTTL3MBTL1SMN1; SMN2
SCHEMBL10226887 0.68 TAS1R3 (1.00) L3MBTL1ATMTAS1R3TAS1R1TAS1R2
SCHEMBL18430420 0.68 HPGD (0.62) HPGDALDH1A1HTTL3MBTL1SMN1; SMN2

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 13 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-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
WO-2007134449-A1 SCREENING METHODS FOR AMYLOID BETA MODULATORS WARATAH PHARMACEUTICALS INC. (CA) 2007-11-29 WO disclosed
WO-2007119108-A2 INOSITOL DERIVATIVES AND THEIR USES IN THE TREATMENT OF DISEASES CHARACTERIZED BY ABNORMAL PROTEIN FOLDING OR AGGREGATION OR AMYLOID FORMATION, DEPOSITION, ACCUMULATION OR PERSISTENCE WARATAH PHARMACEUTICALS INC. (US) 2007-10-25 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
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 (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 HPGD 3326/4885ALDH1A1 2962/4885HTT 277/4885
US-20110028719-A1 SCREENING METHODS FOR AMYLOID BETA MODULATORS APP, BACE1, IAPP HPGD 4420/4885ALDH1A1 4135/4885HTT 21/4885
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 HPGD 3897/4885ALDH1A1 4054/4885HTT 340/4885
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 HPGD 3861/4885ALDH1A1 3990/4885HTT 353/4885
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 HPGD 3326/4885ALDH1A1 2962/4885HTT 277/4885

“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.