SCHEMBL19705941

SCHEMBL19705941

CCc1ncc(C(=O)NCCS(=O)(=O)O)cc1F

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 1/20 0.43
▸ PPARD Q03181 3/20 0.39
▸ MRGPRX4 Q96LA9 1/20 0.38
▸ MAPK14 Q16539 1/20 0.37
▸ ULK1 O75385 1/20 0.36
▸ TLR7 Q9NYK1 1/20 0.36
▸ HPGDS O60760 1/20 0.35
▸ MAPT P10636 2/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ NAMPT P43490 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ PKM P14618 1/20 0.34
▸ NR1H4 Q96RI1 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
SCHEMBL19705735 0.84 GPBAR1 (0.42) GPBAR1PPARDMRGPRX4MAPK14ULK1
SCHEMBL19738283 0.84 GPBAR1 (0.42) GPBAR1PPARDMRGPRX4MAPK14ULK1
SCHEMBL19705743 0.82 KDM4E (0.43) KDM4E
SCHEMBL19698930 0.81 GPBAR1 (0.40) GPBAR1PPARDMRGPRX4MAPK14ULK1
SCHEMBL24565981 0.81 GPBAR1 (0.39) GPBAR1PPARDMRGPRX4MAPK14ULK1
SCHEMBL19725195 0.80 GPBAR1 (0.40) GPBAR1PPARDMRGPRX4MAPK14ULK1
SCHEMBL15601900 0.80 GPBAR1 (0.42) GPBAR1MRGPRX4TLR7MEN1KMT2A
SCHEMBL19705749 0.79 GPBAR1 (0.38) GPBAR1PPARDMRGPRX4MAPK14ULK1
SCHEMBL19725183 0.79 EGLN1 (0.41) MAPTKDM4EATM
SCHEMBL15601855 0.74 MRGPRX4 (0.43) GPBAR1PPARDMRGPRX4

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 7 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-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-20190308962-A1 FXR (NR1H4) Modulating Compounds GILEAD SCIENCES, INC. (US) 2019-10-10 — — 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 (7 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 42/4885MRGPRX4 278/4885
US-10981881-B2 FXR (NR1H4) modulating compounds NR1H4, NR1H2, NR1H3 GPBAR1 5/4885PPARD 42/4885MRGPRX4 296/4885
US-11739065-B2 FXR (NR1H4) modulating compounds NR1H4, NR1H2, NR1H3 GPBAR1 5/4885PPARD 42/4885MRGPRX4 296/4885
US-20170355685-A1 FXR (NR1H4) MODULATING COMPOUNDS NR1H4, NR1H2, NR1H3 GPBAR1 5/4885PPARD 42/4885MRGPRX4 296/4885
US-20200369632-A1 FXR (NR1H4) MODULATING COMPOUNDS NR1H4, NR1H2, NR1H3 GPBAR1 5/4885PPARD 42/4885MRGPRX4 296/4885
US-20200361920-A1 ISOXAZOLE DERIVATIVES AS FXR AGONISTS AND METHODS OF USE THEREOF SLC10A1, NR1H4, SLC10A2 GPBAR1 6/4885PPARD 36/4885MRGPRX4 143/4885
US-20220204460-A1 FXR (NR1H4) MODULATING COMPOUNDS NR1H4, NR1H2, NR1H3 GPBAR1 5/4885PPARD 42/4885MRGPRX4 296/4885

“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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