SCHEMBL17954233

SCHEMBL17954233

CC(C)OP(=O)(O)OCc1ccc(-c2cccc(OCc3cccc(CO)c3)c2)nc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP4F2 P78329 4/20 0.41
CYP4A11 Q02928 4/20 0.41
FYN P06241 2/20 0.39
SIRT2 Q8IXJ6 1/20 0.38
SIRT1 Q96EB6 1/20 0.38
SIRT3 Q9NTG7 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.36
KDR P35968 1/20 0.36
GPR132 Q9UNW8 4/20 0.36
NR1H4 Q96RI1 2/20 0.36
FFAR1 O14842 1/20 0.36

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
SCHEMBL17954235 0.89 TSHR (0.44) TSHRSMN1; SMN2MRGPRX4KDRNR1H4
SCHEMBL20216027 0.88 TSHR (0.46) TSHRSMN1; SMN2CYP4F2CYP4A11FYN
SCHEMBL17954247 0.86 TSHR (0.36) TSHRSMN1; SMN2CYP4F2CYP4A11FYN
SCHEMBL17954238 0.83 TSHR (0.44) TSHRSMN1; SMN2MRGPRX4NR1H4FFAR1
SCHEMBL17954249 0.82 MRGPRX4 (0.42) TSHRSMN1; SMN2MRGPRX4NR1H4FFAR1
SCHEMBL17954240 0.82 NR1H4 (0.45) NR1H4FFAR1
SCHEMBL17954254 0.81 NR1H4 (0.46) TSHRSMN1; SMN2CYP4F2CYP4A11MRGPRX4
SCHEMBL17954242 0.81 SMN1; SMN2 (0.42) TSHRSMN1; SMN2FYN
SCHEMBL17954210 0.80 CYP4F2 (0.49) TSHRSMN1; SMN2CYP4F2CYP4A11FYN
SCHEMBL17954239 0.77 TSHR (0.44) TSHRSMN1; SMN2NR1H4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11008570-B2 3′ end caps for RNAi agents for use in RNA interference NOVARTIS AG (CH) 2021-05-18 US disclosed
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 (3 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 TSHR 4263/4885SMN1; SMN2 2037/4885CYP4F2 4816/4885
US-11008570-B2 3′ end caps for RNAi agents for use in RNA interference RNGTT, NSUN2, NSUN3 TSHR 4263/4885SMN1; SMN2 2037/4885CYP4F2 4816/4885
US-20160304863-A1 3'END CAPS FOR RNAi AGENTS FOR USE IN RNA INTERFERENCE RNGTT, NSUN2, NSUN3 TSHR 4247/4885SMN1; SMN2 2042/4885CYP4F2 4812/4885

“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.