Ursodiol

Ursodiol

SCHEMBL517849

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

nearest known ligand 0.89

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

NR1H4

The experimentally established mechanism targets of Ursodiol. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 known ✓ Q96RI1 5/20 0.89
GPBAR1 Q8TDU6 10/20 0.89
TDP1 Q9NUW8 3/20 0.89
MEN1 O00255 2/20 0.89
KMT2A Q03164 2/20 0.89
ABCB11 O95342 2/20 0.89
SLC10A2 Q12908 2/20 0.89
LMNA P02545 2/20 0.89
CYP3A4 P08684 2/20 0.89
CYP2C19 P33261 1/20 0.89
CHRM2 P08172 1/20 0.89
ADRA2A P08913 1/20 0.89
ADRA1A P35348 1/20 0.89
ENPP2 Q13822 1/20 0.89
SLC10A1 Q14973 1/20 0.89
CISD1 Q9NZ45 1/20 0.89
CASP7 P55210 3/20 0.86
TP53 P04637 2/20 0.86
MAPK1 P28482 2/20 0.86
HSD17B10 Q99714 2/20 0.86

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
Chenodiol SCHEMBL2638869 1.00 GPBAR1 (0.89) GPBAR1NR1H4TDP1MEN1KMT2A
Chenodiol SCHEMBL24124587 0.94 GPBAR1 (1.00) GPBAR1NR1H4TDP1MEN1KMT2A
Chenodiol SCHEMBL22079179 0.94 GPBAR1 (1.00) GPBAR1NR1H4TDP1MEN1KMT2A
Chenodiol SCHEMBL22108119 0.94 GPBAR1 (1.00) GPBAR1NR1H4TDP1MEN1KMT2A
Chenodiol SCHEMBL25337648 0.94 GPBAR1 (1.00) GPBAR1NR1H4TDP1MEN1KMT2A
Chenodiol SCHEMBL24199134 0.94 GPBAR1 (1.00) GPBAR1NR1H4TDP1MEN1KMT2A
Chenodiol SCHEMBL24061005 0.94 GPBAR1 (1.00) GPBAR1NR1H4TDP1MEN1KMT2A
Chenodiol SCHEMBL25397934 0.94 GPBAR1 (1.00) GPBAR1NR1H4TDP1MEN1KMT2A
Chenodiol SCHEMBL23517166 0.94 GPBAR1 (1.00) GPBAR1NR1H4TDP1MEN1KMT2A
Chenodiol SCHEMBL23704676 0.94 GPBAR1 (1.00) GPBAR1NR1H4TDP1MEN1KMT2A

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2269639-B1 Influenza vaccine formulations for intradermal delivery GLAXOSMITHKLINE BIOLOGICALS SA (BE) 2018-11-28 EP disclosed
US-9138471-B2 Methods for one-dose intradermal delivery for non-live trivalent influenza vaccine GLAXOSMITHKLINE BIOLOGICALS, S.A. (BE) 2015-09-22 US disclosed
US-20140302090-A1 NOVEL VACCINE GLAXOSMITHKLINE BIOLOGICALS S.A. (BE) 2014-10-09 US disclosed
US-8557251-B2 Non-live trivalent influenza vaccine for one-dose intradermal delivery GLAXOSMITHKLINE BIOLOGICALS, SA (BE) 2013-10-15 US disclosed
US-20120039933-A1 METHODS FOR ONE-DOSE INTRADERMAL DELIVERY FOR NON-LIVE TRIVALENT INFLUENZA VACCINE GLAXOSMITHKLINE BIOLOGICALS, S.A. (BE) 2012-02-16 US disclosed
US-20120029437-A1 KITS FOR ONE-DOSE INTRADERMAL DELIVERY FOR NON-LIVE TRIVALENT INFLUENZA VACCINE GLAXOSMITHKLINE BIOLOGICALS, S.A. (BE) 2012-02-02 US disclosed
EP-1361890-B1 INFLUENZA VACCINE FORMULATIONS FOR INTRADERMAL DELIVERY GLAXOSMITHKLINE BIOLOG SA (BE) 2011-03-30 EP disclosed
EP-2281573-A2 Influenza vaccine formulations for intradermal delivery GlaxoSmithKline Biologicals s.a. (BE) 2011-02-09 EP disclosed
EP-2269639-A2 Influenza vaccine formulations for intradermal delivery GlaxoSmithKline Biologicals s.a. (BE) 2011-01-05 EP disclosed
US-20090155309-A1 Novel vaccine SMITHKLINE BEECHAM BIOLOGICALS, S.A. 2009-06-18 US disclosed
EP-1324769-A2 SPLIT ENVELOPED VIRUS PREPARATION FOR INTRANASAL DELIVERY GlaxoSmithKline Biologicals S.A. (BE) 2003-07-09 EP disclosed
EP-1322329-A1 SPLIT ENVELOPED VIRUS PREPARATION GlaxoSmithKline Biologicals S.A. (BE) 2003-07-02 EP disclosed
WO-2002087494-A2 NOVEL VACCINE GLAXOSMITHKLINE BIOLOGICALS, SA (BE) 2002-11-07 WO disclosed
WO-2002067983-A1 NOVEL VACCINE GLAXOSMITHKLINE BIOLOGICALS S.A. (BE) 2002-09-06 WO disclosed
EP-1214053-A1 ADJUVANT COMPRISING A POLYOXYETHYLENE ALKYL ETHER OR ESTER AND AT LEAST ONE NONIONIC SURFACTANT SMITHKLINE BEECHAM BIOLOGICALS s.a. (BE) 2002-06-19 EP disclosed
EP-1214054-A1 INTRANASAL INFLUENZA VIRUS VACCINE SMITHKLINE BEECHAM BIOLOGICALS (S.A.), formerly SMITHKLINE BIOLOGICALS (S.A.) (BE) 2002-06-19 EP disclosed
WO-2002028422-A2 SPLIT ENVELOPED VIRUS PREPARATION FOR INTRANASAL DELIVERY GLAXOSMITHKLINE BIOLOGICALS S.A. (BE) 2002-04-11 WO disclosed
WO-2002028426-A1 SPLIT ENVELOPED VIRUS PREPARATION GLAXOSMITHKLINE BIOLOGICALS S.A. (BE) 2002-04-11 WO disclosed
WO-2001021152-A1 ADJUVANT COMPRISING A POLYXYETHYLENE ALKYL ETHER OR ESTER AND AT LEAST ONE NONIONIC SURFACTANT SMITHKLINE BEECHAM BIOLOGICALS S.A. (BE) 2001-03-29 WO disclosed
WO-2001021151-A1 INTRANASAL INFLUENZA VIRUS VACCINE SMITHKLINE BEECHAM BIOLOGICALS S.A. (BE) 2001-03-29 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 (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-20090155309-A1 Novel vaccine TLR7, PDE11A, TLR5 NR1H4 4538/4885GPBAR1 4017/4885TDP1 4542/4885
US-20140302090-A1 NOVEL VACCINE IPO5, IPO4, CD209 NR1H4 4635/4885GPBAR1 4783/4885TDP1 4311/4885
US-20120039933-A1 METHODS FOR ONE-DOSE INTRADERMAL DELIVERY FOR NON-LIVE TRIVALENT INFLUENZA VACCINE TIMCC, IDO1, FCGR3B NR1H4 2630/4885GPBAR1 2838/4885TDP1 3730/4885

“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.