SCHEMBL29693038

SCHEMBL29693038

C[C@H](CCC(=O)NCCP(=O)(O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 5/20 0.77
▸ SLC10A2 Q12908 1/20 0.77
▸ SLC10A1 Q14973 1/20 0.77
▸ ABCB11 O95342 1/20 0.76
▸ KMT2A Q03164 2/20 0.75
▸ LMNA P02545 2/20 0.75
▸ TSHR P16473 1/20 0.75
▸ RAB9A P51151 1/20 0.75
▸ BLM P54132 1/20 0.75
▸ CYP3A4 P08684 3/20 0.71
▸ PDE3A Q14432 1/20 0.71
▸ NR1H4 Q96RI1 1/20 0.71
▸ MEN1 O00255 1/20 0.70
▸ SLCO1B3 Q9NPD5 1/20 0.70
▸ SLCO1B1 Q9Y6L6 1/20 0.70
▸ USP2 O75604 1/20 0.70
▸ ALDH1A1 P00352 1/20 0.69
▸ TDP1 Q9NUW8 1/20 0.69
▸ CA1 P00915 3/20 0.67
▸ CA2 P00918 3/20 0.67

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
SCHEMBL14485374 0.93 GPBAR1 (0.80) GPBAR1SLC10A2SLC10A1ABCB11KMT2A
SCHEMBL14485352 0.92 GPBAR1 (0.85) GPBAR1SLC10A2SLC10A1ABCB11KMT2A
SCHEMBL30132731 0.91 GPBAR1 (0.83) GPBAR1SLC10A2SLC10A1ABCB11KMT2A
SCHEMBL19577573 0.90 GPBAR1 (0.81) GPBAR1SLC10A2SLC10A1ABCB11KMT2A
SCHEMBL17430857 0.90 GPBAR1 (0.81) GPBAR1SLC10A2SLC10A1ABCB11KMT2A
SCHEMBL19577558 0.90 GPBAR1 (0.81) GPBAR1SLC10A2SLC10A1ABCB11KMT2A
SCHEMBL23312339 0.89 GPBAR1 (0.80) GPBAR1SLC10A2SLC10A1ABCB11KMT2A
SCHEMBL1653681 0.89 GPBAR1 (0.80) GPBAR1SLC10A2SLC10A1ABCB11KMT2A
SCHEMBL15467319 0.89 GPBAR1 (0.85) GPBAR1SLC10A2SLC10A1ABCB11KMT2A
SCHEMBL18280271 0.89 GPBAR1 (0.85) GPBAR1SLC10A2SLC10A1ABCB11KMT2A

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
CN-116660543-A Diagnostic and prognostic markers for nonalcoholic fatty liver disease and uses thereof 中国人民解放军陆军军医大学第一附属医院 2023-08-29 — — CN claimed
US-20240350562-A1 Bile Acids and Use in Disease Treatment UNIV CALIFORNIA (US) 2024-10-24 — — US disclosed
US-11980645-B2 Bile acids and use in disease treatment THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-05-14 — — US disclosed
CN-116549488-A A pharmaceutical preparation for preventing liver fibrosis and protecting liver, and its preparation method 五邑大学 2023-08-08 — — CN disclosed
US-20220202881-A1 Bile Acids and Use in Disease Treatment THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 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 (3 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-20220202881-A1 Bile Acids and Use in Disease Treatment SLC10A2, NR1H4, GPBAR1 GPBAR1 3/4885SLC10A2 1/4885SLC10A1 4/4885
US-11980645-B2 Bile acids and use in disease treatment SLC10A2, NR1H4, GPBAR1 GPBAR1 3/4885SLC10A2 1/4885SLC10A1 4/4885
US-20240350562-A1 Bile Acids and Use in Disease Treatment SLC10A2, NR1H4, GPBAR1 GPBAR1 3/4885SLC10A2 1/4885SLC10A1 4/4885

“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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