SCHEMBL19698930

SCHEMBL19698930

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

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 1/20 0.40
▸ PPARD Q03181 5/20 0.39
▸ NAMPT P43490 2/20 0.38
▸ MRGPRX4 Q96LA9 1/20 0.38
▸ SCN9A Q15858 1/20 0.36
▸ ULK1 O75385 1/20 0.36
▸ NR1H4 Q96RI1 1/20 0.36
▸ MAPK14 Q16539 2/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ MAPK11 Q15759 1/20 0.35
▸ EPHX2 P34913 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ HPGDS O60760 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ATM Q13315 1/20 0.34

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
SCHEMBL24565981 0.89 GPBAR1 (0.39) GPBAR1PPARDMRGPRX4SCN9AULK1
SCHEMBL19705749 0.87 GPBAR1 (0.38) GPBAR1PPARDMRGPRX4ULK1NR1H4
SCHEMBL19705735 0.83 GPBAR1 (0.42) GPBAR1PPARDNAMPTMRGPRX4SCN9A
SCHEMBL19698958 0.82 GCG (0.43) EPHX2KDM4E
SCHEMBL19705941 0.81 GPBAR1 (0.43) GPBAR1PPARDNAMPTMRGPRX4ULK1
SCHEMBL19738283 0.80 GPBAR1 (0.42) GPBAR1PPARDNAMPTMRGPRX4ULK1
SCHEMBL19698929 0.79 EGLN1 (0.43) HPGDSKDM4EATM
SCHEMBL19725195 0.79 GPBAR1 (0.40) GPBAR1PPARDNAMPTMRGPRX4ULK1
SCHEMBL25138292 0.77 HDAC6 (0.50) HDAC6
SCHEMBL15601900 0.73 GPBAR1 (0.42) GPBAR1MRGPRX4EPHX2HDAC6KDM4E

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 14 patents. 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
US-10981881-B2 FXR (NR1H4) modulating compounds GILEAD SCIENCES, INC. (US) 2021-04-20 — — US disclosed
US-20200369632-A1 FXR (NR1H4) MODULATING COMPOUNDS GILEAD SCIENCES, INC. 2020-11-26 — — US disclosed
US-20200361920-A1 ISOXAZOLE DERIVATIVES AS FXR AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2020-11-19 — — US 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-20190308962-A1 FXR (NR1H4) Modulating Compounds GILEAD SCIENCES, INC. (US) 2019-10-10 — — US disclosed
US-10421730-B2 FXR (NR1H4) modulating compounds GILEAD SCIENCES, INC. (US) 2019-09-24 — — US disclosed
WO-2017218330-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (10 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-20190308962-A1 FXR (NR1H4) Modulating Compounds NR1H4, NR1H2, NR1H3 GPBAR1 5/4885PPARD 42/4885NAMPT 493/4885
US-10981881-B2 FXR (NR1H4) modulating compounds NR1H4, NR1H2, NR1H3 GPBAR1 5/4885PPARD 42/4885NAMPT 499/4885
US-11739065-B2 FXR (NR1H4) modulating compounds NR1H4, NR1H2, NR1H3 GPBAR1 5/4885PPARD 42/4885NAMPT 499/4885
US-10421730-B2 FXR (NR1H4) modulating compounds NR1H4, NR1H2, NR1H3 GPBAR1 5/4885PPARD 42/4885NAMPT 499/4885
US-20170355685-A1 FXR (NR1H4) MODULATING COMPOUNDS NR1H4, NR1H2, NR1H3 GPBAR1 5/4885PPARD 42/4885NAMPT 499/4885
US-20200071282-A1 FXR (NR1H4) MODULATING COMPOUNDS NR1H4, NR1H2, NR1H3 GPBAR1 5/4885PPARD 42/4885NAMPT 499/4885
US-20200369632-A1 FXR (NR1H4) MODULATING COMPOUNDS NR1H4, NR1H2, NR1H3 GPBAR1 5/4885PPARD 42/4885NAMPT 499/4885
US-20200361920-A1 ISOXAZOLE DERIVATIVES AS FXR AGONISTS AND METHODS OF USE THEREOF SLC10A1, NR1H4, SLC10A2 GPBAR1 6/4885PPARD 36/4885NAMPT 1234/4885
US-20220204460-A1 FXR (NR1H4) MODULATING COMPOUNDS NR1H4, NR1H2, NR1H3 GPBAR1 5/4885PPARD 42/4885NAMPT 499/4885
US-10774054-B2 FXR (NR1H4) modulating compounds NR1H4, NR1H2, NR1H3 GPBAR1 5/4885PPARD 42/4885NAMPT 499/4885

“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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