Glycodeoxycholate

Glycodeoxycholate

SCHEMBL23710381

C[C@H](CCC(=O)NCC(=O)O)C1CCC2C3CC[C@@H]4C[C@H](O)CC[C@]4(C)C3C[C@H](O)[C@@]21C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 8/20 1.00
▸ NR1H4 Q96RI1 3/20 0.81
▸ SLC10A2 Q12908 2/20 0.81
▸ TBXA2R P21731 1/20 0.81
▸ PDE3A Q14432 1/20 0.81
▸ VDR P11473 1/20 0.80
▸ EPHA2 P29317 1/20 0.80
▸ ABCB11 O95342 2/20 0.77
▸ ABCC4 O15439 1/20 0.76
▸ KMT2A Q03164 2/20 0.75
▸ MAPT P10636 2/20 0.74
▸ MEN1 O00255 1/20 0.74
▸ USP2 O75604 1/20 0.74
▸ LMNA P02545 1/20 0.74
▸ MAPK1 P28482 1/20 0.74
▸ CA1 P00915 5/20 0.68
▸ CA2 P00918 5/20 0.68
▸ ENPP2 Q13822 1/20 0.65

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
Glycodeoxycholate SCHEMBL27652429 1.00 GPBAR1 (1.00) GPBAR1NR1H4SLC10A2TBXA2RPDE3A
Glycodeoxycholate SCHEMBL13851639 1.00 GPBAR1 (1.00) GPBAR1NR1H4SLC10A2TBXA2RPDE3A
Glycodeoxycholate SCHEMBL26088647 1.00 GPBAR1 (1.00) GPBAR1NR1H4SLC10A2TBXA2RPDE3A
Glycodeoxycholate SCHEMBL24841 1.00 GPBAR1 (1.00) GPBAR1NR1H4SLC10A2TBXA2RPDE3A
Glycodeoxycholate SCHEMBL23704979 1.00 GPBAR1 (1.00) GPBAR1NR1H4SLC10A2TBXA2RPDE3A
Glycodeoxycholate SCHEMBL1218231 1.00 GPBAR1 (1.00) GPBAR1NR1H4SLC10A2TBXA2RPDE3A
Glycodeoxycholate SCHEMBL23704978 1.00 GPBAR1 (1.00) GPBAR1NR1H4SLC10A2TBXA2RPDE3A
Glycodeoxycholate SCHEMBL4301 1.00 GPBAR1 (1.00) GPBAR1NR1H4SLC10A2TBXA2RPDE3A
Glycodeoxycholate SCHEMBL20955852 1.00 GPBAR1 (1.00) GPBAR1NR1H4SLC10A2TBXA2RPDE3A
Glycodeoxycholate SCHEMBL24840 1.00 GPBAR1 (1.00) GPBAR1NR1H4SLC10A2TBXA2RPDE3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230128984-A1 BILE ACID-GCPII INHIBITOR CONJUGATES TO TREAT INFLAMMATORY DISEASES, INCLUDING INFLAMMATORY BOWEL DISEASE (IBD) INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY AS CR V.V.I. (CZ) 2023-04-27 — — US disclosed
US-20230128984-A1 BILE ACID-GCPII INHIBITOR CONJUGATES TO TREAT INFLAMMATORY DISEASES, INCLUDING INFLAMMATORY BOWEL DISEASE (IBD) INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY AS CR V.V.I. (CZ) 2023-04-27 — — US disclosed
WO-2021155167-A1 BILE ACID-GCPII INHIBITOR CONJUGATES TO TREAT INFLAMMATORY DISEASES THE JOHNS HOPKINS UNIVERSITY (US) 2021-08-05 — — WO 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 (1 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-20230128984-A1 BILE ACID-GCPII INHIBITOR CONJUGATES TO TREAT INFLAMMATORY DISEASES, INCLUDING INFLAMMATORY BOWEL DISEASE (IBD) SLC10A2, GPBAR1, NR1H4 GPBAR1 2/4885NR1H4 3/4885SLC10A2 1/4885

“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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