SCHEMBL12871334

SCHEMBL12871334

O=P(O)(O)OC1C(O)[C@@H](OP(=O)(O)O)C(O)C(O)[C@@H]1O

nearest known ligand 0.90

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ITPR3 Q14573 8/20 0.90
▸ ITPR2 Q14571 4/20 0.90
▸ ITPR1 Q14643 4/20 0.90
▸ INPP5A Q14642 3/20 0.90
▸ SMPD1 P17405 1/20 0.89
▸ INPPL1 O15357 1/20 0.80
▸ AKT1 P31749 1/20 0.80

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
SCHEMBL29165997 1.00 ITPR3 (0.90) ITPR3ITPR2ITPR1INPP5ASMPD1
SCHEMBL9872231 1.00 ITPR3 (0.90) ITPR3ITPR2ITPR1INPP5ASMPD1
SCHEMBL4754501 1.00 ITPR3 (0.90) ITPR3ITPR2ITPR1INPP5ASMPD1
SCHEMBL1149378 1.00 ITPR3 (0.90) ITPR3ITPR2ITPR1INPP5ASMPD1
SCHEMBL15762968 1.00 ITPR3 (0.90) ITPR3ITPR2ITPR1INPP5ASMPD1
SCHEMBL5003539 1.00 ITPR3 (0.90) ITPR3ITPR2ITPR1INPP5ASMPD1
SCHEMBL12858863 1.00 ITPR3 (0.90) ITPR3ITPR2ITPR1INPP5ASMPD1
SCHEMBL452334 1.00 ITPR3 (0.90) ITPR3ITPR2ITPR1INPP5ASMPD1
SCHEMBL113868 0.97 ITPR3 (0.89) ITPR3ITPR2ITPR1INPP5ASMPD1
SCHEMBL14396732 0.97 ITPR3 (0.89) ITPR3ITPR2ITPR1INPP5ASMPD1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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

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

For each of this compound's patents that has machine-readable text (3 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-20110028719-A1 SCREENING METHODS FOR AMYLOID BETA MODULATORS APP, BACE1, IAPP ITPR3 3071/4885ITPR2 3352/4885ITPR1 3734/4885
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 ITPR3 179/4885ITPR2 103/4885ITPR1 143/4885
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 ITPR3 23/4885ITPR2 21/4885ITPR1 25/4885

“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.

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