SCHEMBL16624731

SCHEMBL16624731

O=C(O)Cc1cnc2ccccc2c1-c1cccc(CCC(O)CO)c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 14/20 0.44
NR1H3 Q13133 14/20 0.44
PPARG P37231 6/20 0.43
PPARD Q03181 4/20 0.41
PPARA Q07869 4/20 0.41
CFD P00746 4/20 0.40
TPSB2 P20231 3/20 0.40
F11 P03951 2/20 0.40
TACR1 P25103 1/20 0.38
PLG P00747 1/20 0.38
PLAU P00749 1/20 0.38
KLKB1 P03952 1/20 0.38
F7 P08709 1/20 0.38

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
SCHEMBL16624709 0.87 ALDH1A1 (0.39) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL20101141 0.86 NR1H2 (0.33) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL18027832 0.84 MTNR1A (0.40)
SCHEMBL21610297 0.83 MAPK1 (0.34) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL23365646 0.79 NR1H2 (0.41) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL16624627 0.78 SMN1; SMN2 (0.55) NR1H2NR1H3TACR1
SCHEMBL16624741 0.77 NR1H2 (0.41) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL16624693 0.77 NR1H2 (0.59) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL20799481 0.74 NR1H2 (0.39) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL22540396 0.73 PADI4 (0.33) NR1H2NR1H3TACR1

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 17 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
EP-3052107-B1 ORGANIC COMPOUNDS TO TREAT HEPATITIS B VIRUS NOVARTIS AG (CH) 2018-05-02 EP 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
WO-2015051135-A2 ORGANIC COMPOSITIONS TO TREAT HEPCIDIN-RELATED DISEASES NOVARTIS AG (CH) 2015-04-09 WO disclosed
WO-2015050871-A2 ORGANIC COMPOUNDS TO TREAT HEPATITIS B VIRUS NOVARTIS AG (CH) 2015-04-09 WO disclosed
WO-2015051044-A2 NOVEL FORMATS FOR ORGANIC COMPOUNDS FOR USE IN RNA INTERFERENCE NOVARTIS AG (CH) 2015-04-09 WO disclosed
WO-2015051366-A2 NOVEL FORMATS FOR ORGANIC COMPOUNDS FOR USE IN RNA INTERFERENCE NOVARTIS AG (CH) 2015-04-09 WO disclosed
WO-2015051045-A2 3'END CAPS FOR RNAi AGENTS FOR USE IN RNA INTERFERENCE NOVARTIS AG (CH) 2015-04-09 WO 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 NR1H2 4551/4885NR1H3 4406/4885PPARG 4824/4885
US-11008570-B2 3′ end caps for RNAi agents for use in RNA interference RNGTT, NSUN2, NSUN3 NR1H2 4551/4885NR1H3 4406/4885PPARG 4824/4885
US-20160304863-A1 3'END CAPS FOR RNAi AGENTS FOR USE IN RNA INTERFERENCE RNGTT, NSUN2, NSUN3 NR1H2 4571/4885NR1H3 4416/4885PPARG 4823/4885

“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.