SCHEMBL19698928

SCHEMBL19698928

CC(C)c1ncc(C(=O)O)cc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HCAR2 Q8TDS4 4/20 0.43
▸ HCAR3 P49019 5/20 0.40
▸ GCK P35557 2/20 0.39
▸ KDM4E B2RXH2 4/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ MGAM O43451 1/20 0.39
▸ P4HA1 P13674 2/20 0.37
▸ P4HTM Q9NXG6 2/20 0.37
▸ RARA P10276 1/20 0.37
▸ RARB P10826 1/20 0.37
▸ RARG P13631 1/20 0.37
▸ ASPH Q12797 1/20 0.37
▸ KDM8 Q8N371 1/20 0.37
▸ VNN1 O95497 1/20 0.37

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
SCHEMBL24445684 0.86 HCAR2 (0.41) HCAR2HCAR3GCKKDM4EALDH1A1
SCHEMBL19105598 0.84 HPGDS (0.41) LMNAVNN1PANK3
SCHEMBL22040909 0.81 PDE9A (0.36) GCKKDM4EALDH1A1ALOX15HSD17B10
SCHEMBL25138292 0.81 HDAC6 (0.50) —
SCHEMBL21452962 0.81 HCAR3 (0.38) HCAR2HCAR3GCKMAPK1VNN1
SCHEMBL16248203 0.80 KDM4E (0.42) HCAR2HCAR3KDM4EALDH1A1ALOX15
SCHEMBL19706324 0.80 HCAR2 (0.44) HCAR2HCAR3KDM4EALDH1A1ALOX15
SCHEMBL19698929 0.79 EGLN1 (0.43) KDM4EALDH1A1
SCHEMBL21139099 0.79 PANK3 (0.32) PANK3
SCHEMBL12763742 0.79 HCAR2 (0.43) HCAR2HCAR3KDM4EALDH1A1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11739065-B2 FXR (NR1H4) modulating compounds GILEAD SCIENCES, INC. (US) 2023-08-29 — — US disclosed
US-11739065-B2 FXR (NR1H4) modulating compounds GILEAD SCIENCES, INC. (US) 2023-08-29 — — US disclosed
US-20220204460-A1 FXR (NR1H4) MODULATING COMPOUNDS PHENEX PHARMACEUTICALS AG (DE) 2022-06-30 — — US disclosed
EP-3730487-B1 AZETIDINE DERIVATIVES AS FXR (NR1H4) MODULATORS GILEAD SCIENCES INC (US) 2022-04-27 — — EP disclosed
US-11247986-B2 FXR (NR1H4) modulating compounds GILEAD SCIENCES, INC. (US) 2022-02-15 — — US disclosed
US-20200361920-A1 ISOXAZOLE DERIVATIVES AS FXR AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2020-11-19 — — US disclosed
US-10829486-B2 Isoxazole derivatives as FXR agonists and methods of use thereof ENANTA PHARMACUETICALS, INC. (US) 2020-11-10 — — US disclosed
EP-3730487-A1 AZETIDINE DERIVATIVES AS FXR (NR1H4) MODULATORS Gilead Sciences, Inc. (US) 2020-10-28 — — EP disclosed
US-10774054-B2 FXR (NR1H4) modulating compounds GILEAD SCIENCES, INC. (US) 2020-09-15 — — US disclosed
US-20200071282-A1 FXR (NR1H4) MODULATING COMPOUNDS GILEAD SCIENCES, INC. 2020-03-05 — — US disclosed
US-20190248777-A1 ISOXAZOLE DERIVATIVES AS FXR AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2019-08-15 — — US disclosed
US-10329286-B2 FXR (NR1H4) modulating compounds GILEAD SCIENCES, INC. (US) 2019-06-25 — — US disclosed
US-20180057505-A1 BICYCLIC HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY VERTEX PHARMACEUTICALS INCORPORATED 2018-03-01 — — US disclosed
US-20180057505-A1 BICYCLIC HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY VERTEX PHARMACEUTICALS INCORPORATED 2018-03-01 — — US disclosed
WO-2017218330-A1 FXR (NR1H4) MODULATING COMPOUNDS GILEAD SCIENCES, INC. (US) 2017-12-21 — — WO disclosed
WO-2017218337-A1 FXR (NR1H4) MODULATING COMPOUNDS GILEAD SCIENCES, INC. (US) 2017-12-21 — — WO disclosed
EP-3257847-A1 FXR (NR1H4) MODULATING COMPOUNDS Gilead Sciences, Inc. (US) 2017-12-20 — — EP disclosed
US-20170355685-A1 FXR (NR1H4) MODULATING COMPOUNDS GILEAD SCIENCES, INC. 2017-12-14 — — US disclosed
US-20170355685-A1 FXR (NR1H4) MODULATING COMPOUNDS GILEAD SCIENCES, INC. 2017-12-14 — — US disclosed
US-20170355693-A1 FXR (NR1H4) MODULATING COMPOUNDS GILEAD SCIENCES, INC. 2017-12-14 — — 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 (12 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-20190248777-A1 ISOXAZOLE DERIVATIVES AS FXR AGONISTS AND METHODS OF USE THEREOF NR1H4, SLC10A1, FXR1 HCAR2 87/4885HCAR3 91/4885GCK 1166/4885
US-10329286-B2 FXR (NR1H4) modulating compounds NR1H4, NR1H2, NR1H3 HCAR2 182/4885HCAR3 237/4885GCK 1257/4885
US-11739065-B2 FXR (NR1H4) modulating compounds NR1H4, NR1H2, NR1H3 HCAR2 182/4885HCAR3 237/4885GCK 1257/4885
US-20170355685-A1 FXR (NR1H4) MODULATING COMPOUNDS NR1H4, NR1H2, NR1H3 HCAR2 182/4885HCAR3 237/4885GCK 1257/4885
US-11247986-B2 FXR (NR1H4) modulating compounds NR1H4, NR1H2, NR1H3 HCAR2 182/4885HCAR3 237/4885GCK 1257/4885
US-20180057505-A1 BICYCLIC HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY F2RL1, PARP12, TFPI2 HCAR2 378/4885HCAR3 1217/4885GCK 3176/4885
US-20200071282-A1 FXR (NR1H4) MODULATING COMPOUNDS NR1H4, NR1H2, NR1H3 HCAR2 182/4885HCAR3 237/4885GCK 1257/4885
US-10829486-B2 Isoxazole derivatives as FXR agonists and methods of use thereof NR1H4, SLC10A1, FXR1 HCAR2 87/4885HCAR3 91/4885GCK 1166/4885
US-20200361920-A1 ISOXAZOLE DERIVATIVES AS FXR AGONISTS AND METHODS OF USE THEREOF SLC10A1, NR1H4, SLC10A2 HCAR2 92/4885HCAR3 103/4885GCK 1203/4885
US-20220204460-A1 FXR (NR1H4) MODULATING COMPOUNDS NR1H4, NR1H2, NR1H3 HCAR2 182/4885HCAR3 237/4885GCK 1257/4885
US-10774054-B2 FXR (NR1H4) modulating compounds NR1H4, NR1H2, NR1H3 HCAR2 182/4885HCAR3 237/4885GCK 1257/4885
US-20170355693-A1 FXR (NR1H4) MODULATING COMPOUNDS NR1H4, NR1H2, NR1H3 HCAR2 182/4885HCAR3 237/4885GCK 1257/4885

“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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