SCHEMBL3082767

SCHEMBL3082767

CCCOC1C(OCCC)C(OP(=O)(O)OCC(=O)O)C(OP(=O)(O)OCC(=O)O)C(OP(=O)(O)OCC(=O)O)C1OCCC

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 2/20 0.37
MTOR P42345 1/20 0.37
MVD P53602 1/20 0.36
GPR55 Q9Y2T6 2/20 0.33
ITPR3 Q14573 1/20 0.31
ITPR1 Q14643 1/20 0.31
AKT1 P31749 4/20 0.31
AKT2 P31751 3/20 0.31
AKT3 Q9Y243 3/20 0.31
PIK3R1 P27986 2/20 0.31
PIK3CA P42336 2/20 0.31
PLCG2 P16885 1/20 0.31
GAB1 Q13480 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
SMPD1 P17405 1/20 0.30

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
SCHEMBL3068650 1.00 PDPK1 (0.37) PDPK1MTORMVDGPR55ITPR3
SCHEMBL3082560 0.91 GBA1 (0.38) PDPK1MTORMVDGPR55AKT1
SCHEMBL3082937 0.91 GBA1 (0.38) PDPK1MTORMVDGPR55AKT1
SCHEMBL3082302 0.89 GBA1 (0.44) GPR55AKT1AKT2AKT3PIK3R1
SCHEMBL3073143 0.89 GBA1 (0.44) GPR55AKT1AKT2AKT3PIK3R1
SCHEMBL3077134 0.88 GBA1 (0.46) GPR55AKT1AKT2AKT3PIK3R1
SCHEMBL3073934 0.88 GBA1 (0.46) GPR55AKT1AKT2AKT3PIK3R1
SCHEMBL3080640 0.79 MAPK14 (0.35) PDPK1MTORMVDGPR55SMPD1
SCHEMBL3085431 0.79 MAPK14 (0.35) PDPK1MTORMVDGPR55SMPD1
SCHEMBL3075795 0.78 GPR55 (0.36) MVDGPR55AKT1AKT2AKT3

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
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

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 PDPK1 3190/4885MTOR 1812/4885MVD 1092/4885
US-20160074421-A1 METHOD FOR THE TREATMENT OF DISEASES CAUSED BY HAEMORRHAGIC VIRUSES AND COMPOUNDS FOR USE IN SAID TREATMENT TTPA, LPO, HADHB PDPK1 3837/4885MTOR 1905/4885MVD 425/4885

“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.