SCHEMBL17954272

SCHEMBL17954272

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

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 3/20 0.33
PIK3R1 P27986 2/20 0.33
AKT2 P31751 2/20 0.33
PIK3CA P42336 2/20 0.33
AKT3 Q9Y243 2/20 0.33
PLCG2 P16885 1/20 0.33
GAB1 Q13480 1/20 0.33
P2RY2 P41231 1/20 0.32
P2RY4 P51582 1/20 0.32
P2RY6 Q15077 1/20 0.32
FBP1 P09467 1/20 0.32
MAPK14 Q16539 1/20 0.31

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
SCHEMBL17954256 0.92 FBP1 (0.37) P2RY2P2RY4P2RY6FBP1
SCHEMBL20215996 0.89 AKT1 (0.30) AKT1PIK3R1AKT2PIK3CAAKT3
SCHEMBL17954224 0.88 FBP1 (0.31) FBP1
SCHEMBL17954258 0.86 ITPR3 (0.33) AKT1PIK3R1AKT2PIK3CAAKT3
SCHEMBL23365645 0.85 AKT1 (0.30) AKT1PIK3R1AKT2PIK3CAAKT3
SCHEMBL18874607 0.84 FBP1 (0.33) FBP1
SCHEMBL17954263 0.84 AKT1 (0.36) AKT1PIK3R1AKT2PIK3CAAKT3
SCHEMBL17954261 0.84 AKT1 (0.36) AKT1PIK3R1AKT2PIK3CAAKT3
SCHEMBL17954259 0.84 AKT1 (0.36) AKT1PIK3R1AKT2PIK3CAAKT3
SCHEMBL17954260 0.84 AKT1 (0.36) AKT1PIK3R1AKT2PIK3CAAKT3

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 1600/4885PIK3R1 382/4885AKT2 1338/4885
US-20160304863-A1 3'END CAPS FOR RNAi AGENTS FOR USE IN RNA INTERFERENCE RNGTT, NSUN2, NSUN3 AKT1 1659/4885PIK3R1 395/4885AKT2 1374/4885

“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.