SCHEMBL14641892

SCHEMBL14641892

COc1ccc(C(=O)O)cc1[C@H]1C[C@@](O)(c2ccc(OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)cc2Cl)C1

nearest known ligand 0.78

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 20/20 0.78
▸ HSD17B13 Q7Z5P4 1/20 0.69
▸ FXR2 P51116 1/20 0.61

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
SCHEMBL17087810 1.00 NR1H4 (0.78) NR1H4HSD17B13FXR2
SCHEMBL14642052 1.00 NR1H4 (0.78) NR1H4HSD17B13FXR2
SCHEMBL15929549 0.96 NR1H4 (0.72) NR1H4HSD17B13
SCHEMBL15929531 0.96 NR1H4 (0.72) NR1H4HSD17B13
SCHEMBL17087813 0.91 NR1H4 (0.80) NR1H4HSD17B13FXR2
SCHEMBL14641899 0.91 NR1H4 (0.80) NR1H4HSD17B13FXR2
SCHEMBL14641893 0.91 NR1H4 (0.80) NR1H4HSD17B13FXR2
SCHEMBL15929526 0.89 NR1H4 (0.70) NR1H4HSD17B13
SCHEMBL15929519 0.89 NR1H4 (0.75) NR1H4HSD17B13FXR2
SCHEMBL19620265 0.89 NR1H4 (0.75) NR1H4HSD17B13FXR2

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 25 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-11472826-B2 Acyclic antivirals JANSSEN PHARMACEUTICA NV (BE) 2022-10-18 — — US disclosed
US-20220048912-A1 CYCLOBUTYL NUCLEOSIDE ANALOGS AS ANTI-VIRALS JANSSEN PHARMACEUTICA NV (BE) 2022-02-17 — — US disclosed
US-20220033406-A1 CYCLOPENTYL NUCLEOSIDE ANALOGS AS ANTI-VIRALS Janssen Pharmaceuticals, Inc. 2022-02-03 — — 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-20200392169-A1 ACYCLIC ANTIVIRALS JANSSEN BIOPHARMA, LLC 2020-12-17 — — US disclosed
US-10745427-B2 Acyclic antivirals Janssen Biopharma, Inc. (US) 2020-08-18 — — US disclosed
US-20190142814-A1 Novel FXR (NR1H4) binding and activity modulating compounds PHENEX PHARMACEUTICALS AG (DE) 2019-05-16 — — US disclosed
US-10220027-B2 FXR (NR1H4) binding and activity modulating compounds GILEAD SCIENCES, INC. (US) 2019-03-05 — — US disclosed
US-20190055273-A1 ACYCLIC ANTIVIRALS Janssen Pharmaceuticals, Inc. 2019-02-21 — — US disclosed
US-9820979-B2 FXR (NR1H4) binding and activity modulating compounds GILEAD SCIENCES, INC. (US) 2017-11-21 — — US disclosed
US-20170143684-A1 NOVEL FXR (NR1H4) BINDING AND ACTIVITY MODULATING COMPOUNDS PHENEX PHARMACEUTICALS AG (DE) 2017-05-25 — — US 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
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 (11 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-11472826-B2 Acyclic antivirals PNP, DUT, TYMP NR1H4 672/4885HSD17B13 1244/4885FXR2 1446/4885
US-20220033406-A1 CYCLOPENTYL NUCLEOSIDE ANALOGS AS ANTI-VIRALS PNP, TYMP, HAVCR2 NR1H4 211/4885HSD17B13 637/4885FXR2 1560/4885
US-10220027-B2 FXR (NR1H4) binding and activity modulating compounds NR1H4, NR1H2, NR1H3 NR1H4 1/4885HSD17B13 360/4885FXR2 5/4885
US-20210085662-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR REDUCING PERSISTENCE AND EXPRESSION OF EPISOMAL VIRUSES NR1H4, ABCB11, FXR1 NR1H4 1/4885HSD17B13 846/4885FXR2 6/4885
US-20170143684-A1 NOVEL FXR (NR1H4) BINDING AND ACTIVITY MODULATING COMPOUNDS NR1H4, NR1H2, NR1H3 NR1H4 1/4885HSD17B13 430/4885FXR2 5/4885
US-20190055273-A1 ACYCLIC ANTIVIRALS PNP, TYMP, DUT NR1H4 602/4885HSD17B13 1624/4885FXR2 1259/4885
US-20200392169-A1 ACYCLIC ANTIVIRALS PNP, DUT, TYMP NR1H4 672/4885HSD17B13 1244/4885FXR2 1446/4885
US-20190142814-A1 Novel FXR (NR1H4) binding and activity modulating compounds NR1H4, NR1H2, NR1H3 NR1H4 1/4885HSD17B13 430/4885FXR2 5/4885
US-20160376279-A1 FXR AGONISTS AND METHODS FOR MAKING AND USING NR1H4, FXR2, FXR1 NR1H4 1/4885HSD17B13 573/4885FXR2 2/4885
US-20220048912-A1 CYCLOBUTYL NUCLEOSIDE ANALOGS AS ANTI-VIRALS TYMP, POLB, HMBS NR1H4 153/4885HSD17B13 173/4885FXR2 930/4885
US-10745427-B2 Acyclic antivirals PNP, DUT, TYMP NR1H4 672/4885HSD17B13 1244/4885FXR2 1446/4885

“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.

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