SCHEMBL3076053

SCHEMBL3076053

CC(C)CO[C@@H]1[C@@H](OCC(C)C)[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@H]1OCC(C)C

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITPR3 Q14573 8/20 0.46
ITPR2 Q14571 4/20 0.45
ITPR1 Q14643 4/20 0.45
INPPL1 O15357 1/20 0.45
AKT1 P31749 1/20 0.45
PDPK1 O15530 1/20 0.44
MTOR P42345 1/20 0.44
SMPD1 P17405 1/20 0.43
INPP5A Q14642 1/20 0.40

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
SCHEMBL3087367 1.00 ITPR3 (0.46) ITPR3ITPR2ITPR1INPPL1AKT1
SCHEMBL3079264 0.82 PDPK1 (0.31) PDPK1MTOR
SCHEMBL3083052 0.82 PDPK1 (0.31) PDPK1MTOR
SCHEMBL3077189 0.78 MEN1 (0.33) PDPK1MTOR
SCHEMBL3082895 0.78 MEN1 (0.33) PDPK1MTOR
SCHEMBL3085431 0.76 MAPK14 (0.35) PDPK1MTORSMPD1
SCHEMBL3080640 0.76 MAPK14 (0.35) PDPK1MTORSMPD1
SCHEMBL14128418 0.76 ITPR3 (0.52) ITPR3ITPR2ITPR1INPPL1AKT1
SCHEMBL8467566 0.74 ITPR3 (0.77) ITPR3ITPR2ITPR1INPPL1AKT1
Phytic Acid SCHEMBL17006482 0.74 ITPR3 (0.77) ITPR3ITPR2ITPR1INPPL1AKT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100261682-A1 Method and Means for the Treatment of Cachexia BIONERIS AB 2010-10-14 US claimed
US-20160074421-A1 METHOD FOR THE TREATMENT OF DISEASES CAUSED BY HAEMORRHAGIC VIRUSES AND COMPOUNDS FOR USE IN SAID TREATMENT SIRÈN MATTI (FI) 2016-03-17 US disclosed
US-20100261682-A1 Method and Means for the Treatment of Cachexia BIONERIS AB 2010-10-14 US disclosed
EP-2187892-A1 METHOD AND MEANS FOR THE TREATMENT OF CACHEXIA Bioneris AB (SE) 2010-05-26 EP disclosed
WO-2009038533-A1 METHOD AND MEANS FOR THE TREATMENT OF CACHEXIA BIONERIS AB (SE) 2009-03-26 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 (2 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-20100261682-A1 Method and Means for the Treatment of Cachexia PYGM, GYS1, CPT1B ITPR3 3281/4885ITPR2 3937/4885ITPR1 3918/4885
US-20160074421-A1 METHOD FOR THE TREATMENT OF DISEASES CAUSED BY HAEMORRHAGIC VIRUSES AND COMPOUNDS FOR USE IN SAID TREATMENT TTPA, LPO, HADHB ITPR3 4534/4885ITPR2 4560/4885ITPR1 4377/4885

“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.