Taurolithocholic Acid

Taurolithocholic Acid

SCHEMBL20065899

C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CCC2C3CC[C@@H]4C[C@H](O)CC[C@]4(C)C3CC[C@@]21C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 8/20 1.00
ABCC4 O15439 4/20 1.00
VDR P11473 2/20 1.00
SLC10A2 Q12908 3/20 0.81
NR1H4 Q96RI1 2/20 0.79
ABCB11 O95342 1/20 0.79
PLA2G1B P04054 1/20 0.79
ENPP2 Q13822 1/20 0.79
EPHA2 P29317 3/20 0.74
USP2 O75604 1/20 0.73
ST6GAL1 P15907 1/20 0.73
CYP3A4 P08684 1/20 0.72
CYP2C9 P11712 1/20 0.72
CYP2C19 P33261 1/20 0.72
HIF1A Q16665 1/20 0.72
SLC10A1 Q14973 2/20 0.71
CA1 P00915 1/20 0.69
CA2 P00918 1/20 0.69
TP53 P04637 1/20 0.68
MAPK1 P28482 1/20 0.68

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
Taurolithocholic Acid SCHEMBL22727921 1.00 GPBAR1 (1.00) GPBAR1ABCC4VDRSLC10A2NR1H4
Taurolithocholic Acid SCHEMBL13851634 1.00 GPBAR1 (1.00) GPBAR1ABCC4VDRSLC10A2NR1H4
Taurolithocholic Acid SCHEMBL18739521 1.00 GPBAR1 (1.00) GPBAR1ABCC4VDRSLC10A2NR1H4
Taurolithocholic Acid SCHEMBL18762171 1.00 GPBAR1 (1.00) GPBAR1ABCC4VDRSLC10A2NR1H4
Taurolithocholic Acid SCHEMBL17309133 1.00 GPBAR1 (1.00) GPBAR1ABCC4VDRSLC10A2NR1H4
Taurolithocholic Acid SCHEMBL24001385 1.00 GPBAR1 (1.00) GPBAR1ABCC4VDRSLC10A2NR1H4
Taurolithocholic Acid SCHEMBL364160 1.00 GPBAR1 (1.00) GPBAR1ABCC4VDRSLC10A2NR1H4
Taurolithocholic Acid SCHEMBL19360928 1.00 GPBAR1 (1.00) GPBAR1ABCC4VDRSLC10A2NR1H4
Taurolithocholic Acid SCHEMBL29421664 0.99 GPBAR1 (0.98) GPBAR1ABCC4VDRSLC10A2NR1H4
SCHEMBL18713247 0.95 GPBAR1 (0.90) GPBAR1ABCC4VDRSLC10A2NR1H4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180105533-A1 BILE ACID RECEPTOR MODULATORS AND METHODS OF USE THEREOF CITY OF HOPE 2018-04-19 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 (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-20180105533-A1 BILE ACID RECEPTOR MODULATORS AND METHODS OF USE THEREOF NR1H4, GPBAR1, SLC10A2 GPBAR1 2/4885ABCC4 1785/4885VDR 47/4885

“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.