SCHEMBL3078845

SCHEMBL3078845

CCCC(=O)OC1C(OC(=O)CCC)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1OC(=O)CCC

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITPR3 Q14573 7/20 0.43
ITPR2 Q14571 3/20 0.42
ITPR1 Q14643 3/20 0.42
INPPL1 O15357 1/20 0.42
AKT1 P31749 1/20 0.42
TLR4 O00206 1/20 0.41
LY96 Q9Y6Y9 1/20 0.41
ALDH1A1 P00352 1/20 0.41
SMPD1 P17405 2/20 0.40
INPP5A Q14642 1/20 0.38
PPIP5K2 O43314 1/20 0.37
PDPK1 O15530 1/20 0.35
MTOR P42345 1/20 0.35

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
SCHEMBL3073513 1.00 ITPR3 (0.43) ITPR3ITPR2ITPR1INPPL1AKT1
SCHEMBL6389556 1.00 ITPR3 (0.43) ITPR3ITPR2ITPR1INPPL1AKT1
SCHEMBL4870995 1.00 ITPR3 (0.43) ITPR3ITPR2ITPR1INPPL1AKT1
SCHEMBL15134078 1.00 ITPR3 (0.43) ITPR3ITPR2ITPR1INPPL1AKT1
SCHEMBL5667749 1.00 ITPR3 (0.43) ITPR3ITPR2ITPR1INPPL1AKT1
SCHEMBL8845346 1.00 ITPR3 (0.43) ITPR3ITPR2ITPR1INPPL1AKT1
SCHEMBL6388024 1.00 ITPR3 (0.43) ITPR3ITPR2ITPR1INPPL1AKT1
SCHEMBL8498941 1.00 ITPR3 (0.43) ITPR3ITPR2ITPR1INPPL1AKT1
SCHEMBL8844497 1.00 ITPR3 (0.43) ITPR3ITPR2ITPR1INPPL1AKT1
SCHEMBL6393461 1.00 ITPR3 (0.43) 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 7 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
EP-2187892-A1 METHOD AND MEANS FOR THE TREATMENT OF CACHEXIA Bioneris AB (SE) 2010-05-26 EP claimed
WO-2009038533-A1 METHOD AND MEANS FOR THE TREATMENT OF CACHEXIA BIONERIS AB (SE) 2009-03-26 WO 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.