SCHEMBL14641963

SCHEMBL14641963

Cc1cc(C(=O)O)cc([C@H]2C[C@@](O)(c3ccc(OCc4c(-c5c(Cl)cccc5Cl)noc4C4CC4)cc3Cl)C2)c1

nearest known ligand 0.84

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 20/20 0.84
HSD17B13 Q7Z5P4 1/20 0.66

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
SCHEMBL14642092 1.00 NR1H4 (0.84) NR1H4HSD17B13
SCHEMBL17087799 1.00 NR1H4 (0.84) NR1H4HSD17B13
SCHEMBL15929521 0.96 NR1H4 (0.78) NR1H4HSD17B13
SCHEMBL15929550 0.96 NR1H4 (0.78) NR1H4HSD17B13
SCHEMBL15929554 0.93 NR1H4 (0.76) NR1H4HSD17B13
SCHEMBL14785047 0.91 NR1H4 (1.00) NR1H4HSD17B13
SCHEMBL14562448 0.91 NR1H4 (1.00) NR1H4HSD17B13
SCHEMBL14605221 0.91 NR1H4 (1.00) NR1H4HSD17B13
SCHEMBL29881197 0.91 NR1H4 (1.00) NR1H4HSD17B13
SCHEMBL17087814 0.90 NR1H4 (1.00) NR1H4HSD17B13

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4400503-A2 NOVEL FXR (NR1H4) BINDING AND ACTIVITY MODULATING COMPOUNDS Gilead Sciences, Inc. (US) 2024-07-17 EP disclosed
US-20220048912-A1 CYCLOBUTYL NUCLEOSIDE ANALOGS AS ANTI-VIRALS JANSSEN PHARMACEUTICA NV (BE) 2022-02-17 US disclosed
US-20210085662-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR REDUCING PERSISTENCE AND EXPRESSION OF EPISOMAL VIRUSES INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) (FR) 2021-03-25 US disclosed
US-10220027-B2 FXR (NR1H4) binding and activity modulating compounds GILEAD SCIENCES, INC. (US) 2019-03-05 US disclosed
US-10077268-B2 FXR agonists and methods for making and using SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2018-09-18 US disclosed
US-20180200243-A1 Novel FXR (NR1H4) binding and activity modulating compounds PHENEX PHARMACEUTICALS AG (DE) 2018-07-19 US disclosed
US-20180169115-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF HEPATITIS B VIRUS INFECTION CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2018-06-21 US disclosed
US-9895380-B2 Methods and pharmaceutical compositions for the treatment of hepatitis B virus infection INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) (FR) 2018-02-20 US disclosed
US-20180000768-A1 INTESTINAL FXR AGONISM ENHANCES GLP-1 SIGNALING TO RESTORE PANCREATIC BETA CELL FUNCTIONS SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2018-01-04 US disclosed
EP-3246070-A1 NOVEL FXR (NR1H4) BINDING AND ACTIVITY MODULATING AZOLES Gilead Sciences, Inc. (US) 2017-11-22 EP disclosed
WO-2017078928-A1 FXR AGONISTS AND METHODS FOR MAKING AND USING SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2017-05-11 WO disclosed
EP-2987532-B1 NOVEL FXR (NR1H4) BINDING AND ACTIVITY MODULATING COMPOUNDS GILEAD SCIENCES INC (US) 2017-04-12 EP disclosed
US-20160376279-A1 FXR AGONISTS AND METHODS FOR MAKING AND USING SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2016-12-29 US disclosed
US-20160220586-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF HEPATITIS B VIRUS INFECTION CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2016-08-04 US disclosed
US-20160220586-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF HEPATITIS B VIRUS INFECTION CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2016-08-04 US disclosed
EP-2987532-A1 NOVEL FXR (NR1H4) BINDING AND ACTIVITY MODULATING COMPOUNDS GILEAD SCIENCES, INC. (US) 2016-02-24 EP disclosed
EP-2731676-B1 NOVEL FXR (NR1H4) MODULATING COMPOUNDS GILEAD SCIENCES INC (US) 2016-02-03 EP disclosed
WO-2015138986-A1 FXR AGONISTS AND METHODS FOR MAKING AND USING SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2015-09-17 WO disclosed
WO-2013007387-A1 NOVEL FXR (NR1H4) BINDING AND ACTIVITY MODULATING COMPOUNDS PHENEX PHARMACEUTICALS AG (DE) 2013-01-17 WO disclosed
EP-2545964-A1 Novel FXR (NR1H4) binding and activity modulating compounds Phenex Pharmaceuticals AG (DE) 2013-01-16 EP 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 (9 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-20180000768-A1 INTESTINAL FXR AGONISM ENHANCES GLP-1 SIGNALING TO RESTORE PANCREATIC BETA CELL FUNCTIONS GLP1R, GIPR, FXR1 NR1H4 10/4885HSD17B13 1618/4885
US-20180200243-A1 Novel FXR (NR1H4) binding and activity modulating compounds NR1H4, NR1H2, NR1H3 NR1H4 1/4885HSD17B13 430/4885
US-20180169115-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF HEPATITIS B VIRUS INFECTION NR1H4, FXR2, FXR1 NR1H4 1/4885HSD17B13 102/4885
US-10220027-B2 FXR (NR1H4) binding and activity modulating compounds NR1H4, NR1H2, NR1H3 NR1H4 1/4885HSD17B13 360/4885
US-20210085662-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR REDUCING PERSISTENCE AND EXPRESSION OF EPISOMAL VIRUSES NR1H4, ABCB11, FXR1 NR1H4 1/4885HSD17B13 846/4885
US-20160220586-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF HEPATITIS B VIRUS INFECTION NR1H4, NR1H3, FXR2 NR1H4 1/4885HSD17B13 92/4885
US-10077268-B2 FXR agonists and methods for making and using NR1H4, FXR2, FXR1 NR1H4 1/4885HSD17B13 573/4885
US-20160376279-A1 FXR AGONISTS AND METHODS FOR MAKING AND USING NR1H4, FXR2, FXR1 NR1H4 1/4885HSD17B13 573/4885
US-20220048912-A1 CYCLOBUTYL NUCLEOSIDE ANALOGS AS ANTI-VIRALS TYMP, POLB, HMBS NR1H4 153/4885HSD17B13 173/4885

“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.