SCHEMBL19705735

SCHEMBL19705735

Cc1ncc(C(=O)NCCS(=O)(=O)O)cc1F

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 1/20 0.42
▸ PPARD Q03181 5/20 0.40
▸ MRGPRX4 Q96LA9 1/20 0.39
▸ MAPK14 Q16539 4/20 0.39
▸ KDM4E B2RXH2 2/20 0.38
▸ ULK1 O75385 1/20 0.37
▸ TLR7 Q9NYK1 1/20 0.37
▸ ATM Q13315 1/20 0.36
▸ CYP2C9 P11712 3/20 0.35
▸ MAPK11 Q15759 3/20 0.35
▸ SCN9A Q15858 1/20 0.35
▸ NR1H4 Q96RI1 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ NAMPT P43490 1/20 0.35
▸ BUB1 O43683 1/20 0.35
▸ PRKACG P22612 1/20 0.35
▸ MAPKAPK2 P49137 1/20 0.35
▸ ACSL5 Q9ULC5 1/20 0.35
▸ STK24 Q9Y6E0 1/20 0.35

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
SCHEMBL19705941 0.84 GPBAR1 (0.43) GPBAR1PPARDMRGPRX4MAPK14KDM4E
SCHEMBL19698930 0.83 GPBAR1 (0.40) GPBAR1PPARDMRGPRX4MAPK14KDM4E
SCHEMBL19738283 0.83 GPBAR1 (0.42) GPBAR1PPARDMRGPRX4MAPK14KDM4E
SCHEMBL19725195 0.82 GPBAR1 (0.40) GPBAR1PPARDMRGPRX4MAPK14KDM4E
SCHEMBL19705741 0.81 KDM4E (0.45) KDM4E
SCHEMBL24565981 0.80 GPBAR1 (0.39) GPBAR1PPARDMRGPRX4MAPK14KDM4E
SCHEMBL19705749 0.78 GPBAR1 (0.38) GPBAR1PPARDMRGPRX4MAPK14KDM4E
SCHEMBL19705733 0.77 EGLN1 (0.43) KDM4EATM
SCHEMBL26124336 0.76 KDM4E (0.45) KDM4ESCN9AHDAC1
SCHEMBL15601900 0.76 GPBAR1 (0.42) GPBAR1MRGPRX4KDM4ETLR7HDAC1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20190308962-A1 FXR (NR1H4) Modulating Compounds GILEAD SCIENCES, INC. (US) 2019-10-10 — — US 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

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

For each of this compound's patents that has machine-readable text (4 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-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

“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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