SCHEMBL15929532

SCHEMBL15929532

COC(=O)c1cccc([C@H]2C[C@](O)(c3ccc(OCc4c(-c5c(Cl)cccc5Cl)noc4C4CC4)cc3Cl)C2)c1

nearest known ligand 0.85

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 20/20 0.85
HSD17B13 Q7Z5P4 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
SCHEMBL14605490 1.00 NR1H4 (0.85) NR1H4HSD17B13
SCHEMBL14562396 1.00 NR1H4 (0.85) NR1H4HSD17B13
SCHEMBL19620249 0.94 NR1H4 (0.74) NR1H4HSD17B13
SCHEMBL29881197 0.92 NR1H4 (1.00) NR1H4HSD17B13
SCHEMBL14605221 0.92 NR1H4 (1.00) NR1H4HSD17B13
SCHEMBL14785047 0.92 NR1H4 (1.00) NR1H4HSD17B13
SCHEMBL14562448 0.92 NR1H4 (1.00) NR1H4HSD17B13
SCHEMBL19202439 0.91 NR1H4 (0.85) NR1H4HSD17B13
SCHEMBL19202181 0.91 NR1H4 (0.75) NR1H4HSD17B13
SCHEMBL14641906 0.89 NR1H4 (0.79) 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 21 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
CN-107252424-B Novel FXR (NR1H4) binding and activity modulating compounds 吉尔利德科学股份有限公司 2020-03-27 CN 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-20180200243-A1 Novel FXR (NR1H4) binding and activity modulating compounds PHENEX PHARMACEUTICALS AG (DE) 2018-07-19 US disclosed
US-20180200243-A1 Novel FXR (NR1H4) binding and activity modulating compounds PHENEX PHARMACEUTICALS AG (DE) 2018-07-19 US disclosed
EP-3246070-A1 NOVEL FXR (NR1H4) BINDING AND ACTIVITY MODULATING AZOLES Gilead Sciences, Inc. (US) 2017-11-22 EP disclosed
US-9820979-B2 FXR (NR1H4) binding and activity modulating compounds GILEAD SCIENCES, INC. (US) 2017-11-21 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
EP-2987532-B1 NOVEL FXR (NR1H4) BINDING AND ACTIVITY MODULATING COMPOUNDS GILEAD SCIENCES INC (US) 2017-04-12 EP disclosed
US-9539244-B2 FXR (NR1H4) binding and activity modulating compounds GILEAD SCIENCES, INC. (US) 2017-01-10 US disclosed
US-9539244-B2 FXR (NR1H4) binding and activity modulating compounds GILEAD SCIENCES, INC. (US) 2017-01-10 US disclosed
EP-2731676-B1 NOVEL FXR (NR1H4) MODULATING COMPOUNDS GILEAD SCIENCES INC (US) 2016-02-03 EP disclosed
US-20150342930-A1 NOVEL FXR (NR1H4) BINDING AND ACTIVITY MODULATING COMPOUNDS GILEAD SCIENCES, INC. 2015-12-03 US disclosed
US-20150342930-A1 NOVEL FXR (NR1H4) BINDING AND ACTIVITY MODULATING COMPOUNDS GILEAD SCIENCES, INC. 2015-12-03 US disclosed
US-9139539-B2 FXR (NR1H4) binding and activity modulating compounds GILEAD SCIENCES, INC. (US) 2015-09-22 US disclosed
US-9139539-B2 FXR (NR1H4) binding and activity modulating compounds GILEAD SCIENCES, INC. (US) 2015-09-22 US disclosed
US-20140221659-A1 NOVEL FXR (NR1H4) BINDING AND ACTIVITY MODULATING COMPOUNDS PHENEX PHARMACEUTICALS AG (DE) 2014-08-07 US disclosed
US-20140221659-A1 NOVEL FXR (NR1H4) BINDING AND ACTIVITY MODULATING COMPOUNDS PHENEX PHARMACEUTICALS AG (DE) 2014-08-07 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 (6 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-20180200243-A1 Novel FXR (NR1H4) binding and activity modulating compounds NR1H4, NR1H2, NR1H3 NR1H4 1/4885HSD17B13 430/4885
US-10220027-B2 FXR (NR1H4) binding and activity modulating compounds NR1H4, NR1H2, NR1H3 NR1H4 1/4885HSD17B13 360/4885
US-20150342930-A1 NOVEL FXR (NR1H4) BINDING AND ACTIVITY MODULATING COMPOUNDS NR1H4, NR1H2, NR1H3 NR1H4 1/4885HSD17B13 430/4885
US-20170143684-A1 NOVEL FXR (NR1H4) BINDING AND ACTIVITY MODULATING COMPOUNDS NR1H4, NR1H2, NR1H3 NR1H4 1/4885HSD17B13 430/4885
US-20190142814-A1 Novel FXR (NR1H4) binding and activity modulating compounds NR1H4, NR1H2, NR1H3 NR1H4 1/4885HSD17B13 430/4885
US-20140221659-A1 NOVEL FXR (NR1H4) BINDING AND ACTIVITY MODULATING COMPOUNDS NR1H4, NR1H2, NR1H3 NR1H4 1/4885HSD17B13 430/4885

“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.