SCHEMBL3075490

SCHEMBL3075490

CCCO[C@@H]1[C@@H](OCCC)[C@H](OP(=O)(O)CC(=O)O)[C@@H](OP(=O)(O)CC(=O)O)[C@@H](OP(=O)(O)CC(=O)O)[C@H]1OCCC

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.36
MTOR P42345 1/20 0.36
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
BLM P54132 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CETP P11597 3/20 0.30
ALDH1A1 P00352 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
SCHEMBL3080523 1.00 PDPK1 (0.36) PDPK1MTORMEN1LMNAHPGD
SCHEMBL3069602 0.90 GBA1 (0.36) PDPK1MTORTSHRTDP1CETP
SCHEMBL3078679 0.90 GBA1 (0.36) PDPK1MTORTSHRTDP1CETP
SCHEMBL3077288 0.89 GBA1 (0.42) LMNATSHRCETPALDH1A1
SCHEMBL3078580 0.89 GBA1 (0.42) LMNATSHRCETPALDH1A1
SCHEMBL3081569 0.87 GBA1 (0.45) LMNATSHRKMT2ACETPALDH1A1
SCHEMBL3073791 0.87 GBA1 (0.45) LMNATSHRKMT2ACETPALDH1A1
SCHEMBL3081102 0.80 PDPK1 (0.35) PDPK1MTOR
SCHEMBL3078675 0.80 PDPK1 (0.35) PDPK1MTOR
SCHEMBL3082895 0.78 MEN1 (0.33) PDPK1MTORMEN1LMNAHPGD

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-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

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 1812/4885MEN1 3255/4885
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 1905/4885MEN1 2278/4885

“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.