SCHEMBL17954261

SCHEMBL17954261

CC(C)OP(=O)(O)OC[C@H]1OC[C@H](O)[C@@H]1OP(=O)(O)OCCCCCCCCCCCCO

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 6/20 0.36
AKT2 P31751 5/20 0.36
AKT3 Q9Y243 5/20 0.36
PIK3R1 P27986 4/20 0.36
PIK3CA P42336 4/20 0.36
PLCG2 P16885 1/20 0.36
GAB1 Q13480 1/20 0.36
MAPK14 Q16539 2/20 0.34
ITPR3 Q14573 1/20 0.32
ITPR1 Q14643 1/20 0.32

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
SCHEMBL17954260 1.00 AKT1 (0.36) AKT1AKT2AKT3PIK3R1PIK3CA
SCHEMBL17954263 1.00 AKT1 (0.36) AKT1AKT2AKT3PIK3R1PIK3CA
SCHEMBL17954259 1.00 AKT1 (0.36) AKT1AKT2AKT3PIK3R1PIK3CA
SCHEMBL17954258 0.96 ITPR3 (0.33) AKT1AKT2AKT3PIK3R1PIK3CA
SCHEMBL17954272 0.84 AKT1 (0.33) AKT1AKT2AKT3PIK3R1PIK3CA
SCHEMBL20215996 0.83 AKT1 (0.30) AKT1AKT2AKT3PIK3R1PIK3CA
SCHEMBL17954224 0.82 FBP1 (0.31)
SCHEMBL23365652 0.81 ITPR3 (0.34) AKT1AKT2AKT3PIK3R1PIK3CA
SCHEMBL17954270 0.80
SCHEMBL17954268 0.80

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10519446-B2 Organic compounds to treat hepatitis B virus NOVARTIS AG (CH) 2019-12-31 US disclosed
US-10227588-B2 3′end caps for RNAi agents for use in RNA interference NOVARTIS AG (CH) 2019-03-12 US disclosed
US-9988627-B2 Formats for organic compounds for use in RNA interference NOVARTIS AG (CH) 2018-06-05 US disclosed
US-9988627-B2 Formats for organic compounds for use in RNA interference NOVARTIS AG (CH) 2018-06-05 US disclosed
US-20160304863-A1 3'END CAPS FOR RNAi AGENTS FOR USE IN RNA INTERFERENCE NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH INC. 2016-10-20 US disclosed
US-20160304863-A1 3'END CAPS FOR RNAi AGENTS FOR USE IN RNA INTERFERENCE NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH INC. 2016-10-20 US disclosed
US-20160244756-A1 NOVEL FORMATS FOR ORGANIC COMPOUNDS FOR USE IN RNA INTERFERENCE NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH INC. 2016-08-25 US disclosed
US-20160244756-A1 NOVEL FORMATS FOR ORGANIC COMPOUNDS FOR USE IN RNA INTERFERENCE NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH INC. 2016-08-25 US disclosed
US-20160215288-A1 ORGANIC COMPOUNDS TO TREAT HEPATITIS B VIRUS NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH INC. 2016-07-28 US disclosed
US-20160215288-A1 ORGANIC COMPOUNDS TO TREAT HEPATITIS B VIRUS NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH INC. 2016-07-28 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-10227588-B2 3′end caps for RNAi agents for use in RNA interference RNGTT, NSUN2, NSUN3 AKT1 1600/4885AKT2 1338/4885AKT3 930/4885
US-20160304863-A1 3'END CAPS FOR RNAi AGENTS FOR USE IN RNA INTERFERENCE RNGTT, NSUN2, NSUN3 AKT1 1659/4885AKT2 1374/4885AKT3 951/4885

“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.