Taurochenodeoxycholate

Taurochenodeoxycholate

SCHEMBL17309129

C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CCC2C3C(CC[C@@]21C)[C@@]1(C)CC[C@@H](O)CC1C[C@@H]3O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 12/20 1.00
NR1H4 Q96RI1 6/20 1.00
SLC10A2 Q12908 3/20 1.00
ABCC4 O15439 2/20 1.00
ABCB11 O95342 2/20 1.00
ENPP2 Q13822 2/20 1.00
PLA2G1B P04054 1/20 1.00
SLC10A1 Q14973 6/20 0.89
VDR P11473 1/20 0.79
NR3C1 P04150 1/20 0.71

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
Taurochenodeoxycholate SCHEMBL9152921 1.00 GPBAR1 (1.00) GPBAR1NR1H4SLC10A2ABCC4ABCB11
Taurochenodeoxycholate SCHEMBL4411471 1.00 GPBAR1 (1.00) GPBAR1NR1H4SLC10A2ABCC4ABCB11
Taurochenodeoxycholate SCHEMBL13094131 1.00 GPBAR1 (1.00) GPBAR1NR1H4SLC10A2ABCC4ABCB11
Taurochenodeoxycholate SCHEMBL12917602 1.00 GPBAR1 (1.00) GPBAR1NR1H4SLC10A2ABCC4ABCB11
Taurochenodeoxycholate SCHEMBL24001493 1.00 GPBAR1 (1.00) GPBAR1NR1H4SLC10A2ABCC4ABCB11
Taurochenodeoxycholate SCHEMBL40763 1.00 GPBAR1 (1.00) GPBAR1NR1H4SLC10A2ABCC4ABCB11
Taurochenodeoxycholate SCHEMBL24435723 1.00 GPBAR1 (1.00) GPBAR1NR1H4SLC10A2ABCC4ABCB11
Taurochenodeoxycholate SCHEMBL17641266 1.00 GPBAR1 (1.00) GPBAR1NR1H4SLC10A2ABCC4ABCB11
Taurochenodeoxycholate SCHEMBL24015433 1.00 GPBAR1 (1.00) GPBAR1NR1H4SLC10A2ABCC4ABCB11
Taurochenodeoxycholate SCHEMBL19360984 1.00 GPBAR1 (1.00) GPBAR1NR1H4SLC10A2ABCC4ABCB11

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-10166246-B2 TGR5 agonist complexes for treating diabetes and cancer CITY OF HOPE (US) 2019-01-01 US disclosed
US-20170196890-A1 TGR5 AGONIST COMPLEXES FOR TREATING DIABETES AND CANCER CITY OF HOPE 2017-07-13 US disclosed
WO-2015183794-A1 TGR5 AGONIST COMPLEXES FOR TREATING DIABETES AND CANCER CITY OF HOPE (US) 2015-12-03 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 (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-10166246-B2 TGR5 agonist complexes for treating diabetes and cancer GLP1R, GCGR, GPR119 GPBAR1 6/4885NR1H4 95/4885SLC10A2 484/4885
US-20170196890-A1 TGR5 AGONIST COMPLEXES FOR TREATING DIABETES AND CANCER GLP1R, GCGR, GPR119 GPBAR1 6/4885NR1H4 95/4885SLC10A2 484/4885

“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.