SCHEMBL24565981

SCHEMBL24565981

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 1/20 0.39
▸ PPARD Q03181 4/20 0.37
▸ MRGPRX4 Q96LA9 1/20 0.36
▸ MAPK14 Q16539 2/20 0.35
▸ HPGDS O60760 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.34
▸ ATM Q13315 1/20 0.34
▸ NR1H4 Q96RI1 1/20 0.34
▸ SCN9A Q15858 1/20 0.34
▸ ULK1 O75385 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ MAPK11 Q15759 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ PHF13 Q86YI8 1/20 0.33
▸ L3MBTL3 Q96JM7 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ GAA P10253 1/20 0.33

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
SCHEMBL19705749 0.91 GPBAR1 (0.38) GPBAR1PPARDMRGPRX4MAPK14HPGDS
SCHEMBL19698930 0.89 GPBAR1 (0.40) GPBAR1PPARDMRGPRX4MAPK14HPGDS
SCHEMBL21783356 0.81 ATM (0.40) HPGDSKDM4EATM
SCHEMBL19705941 0.81 GPBAR1 (0.43) GPBAR1PPARDMRGPRX4MAPK14HPGDS
SCHEMBL19705735 0.80 GPBAR1 (0.42) GPBAR1PPARDMRGPRX4MAPK14KDM4E
SCHEMBL19738283 0.77 GPBAR1 (0.42) GPBAR1PPARDMRGPRX4MAPK14KDM4E
SCHEMBL19725195 0.76 GPBAR1 (0.40) GPBAR1PPARDMRGPRX4MAPK14KDM4E
SCHEMBL15601900 0.73 GPBAR1 (0.42) GPBAR1MRGPRX4KDM4EHDAC6RAB9A
SCHEMBL12630753 0.72 OPRK1 (0.48) KDM4EHDAC6NPC1RAB9AL3MBTL1
SCHEMBL19698958 0.72 GCG (0.43) KDM4EPOLBEPHX2

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 2 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

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

For each of this compound's patents that has machine-readable text (2 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-11739065-B2 FXR (NR1H4) modulating compounds NR1H4, NR1H2, NR1H3 GPBAR1 5/4885PPARD 42/4885MRGPRX4 296/4885
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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