Ursulcholic Acid

Ursulcholic Acid

SCHEMBL2919469

C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@@H](OS(=O)(=O)O)CC4C[C@@H](OS(=O)(=O)O)CC[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.77

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABCC4 O15439 3/20 0.77
VDR P11473 2/20 0.77
GPBAR1 Q8TDU6 10/20 0.65
ABCC1 P33527 1/20 0.64
NR1H4 Q96RI1 3/20 0.59
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
ABCB11 O95342 2/20 0.59
SLC10A2 Q12908 2/20 0.59
LMNA P02545 1/20 0.59
CYP2C19 P33261 1/20 0.59
CHRM2 P08172 1/20 0.59
ADRA2A P08913 1/20 0.59
ADRA1A P35348 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
ENPP2 Q13822 1/20 0.59
SLC10A1 Q14973 1/20 0.59
CISD1 Q9NZ45 1/20 0.59
CYP3A4 P08684 1/20 0.59

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
Ursulcholic Acid SCHEMBL27095060 1.00 ABCC4 (0.77) ABCC4VDRGPBAR1ABCC1NR1H4
Ursulcholic Acid SCHEMBL6269998 1.00 ABCC4 (0.77) ABCC4VDRGPBAR1ABCC1NR1H4
Ursulcholic Acid SCHEMBL2916948 0.97 ABCC4 (0.73) ABCC4VDRGPBAR1ABCC1NR1H4
Ursulcholic Acid SCHEMBL5683101 0.92 GPBAR1 (0.72) ABCC4VDRGPBAR1NR1H4MEN1
SCHEMBL18280265 0.91 VDR (0.77) ABCC4VDRGPBAR1ABCC1NR1H4
SCHEMBL28901763 0.91 VDR (0.77) ABCC4VDRGPBAR1ABCC1NR1H4
SCHEMBL18280267 0.91 VDR (0.77) ABCC4VDRGPBAR1ABCC1NR1H4
SCHEMBL1654530 0.91 VDR (0.77) ABCC4VDRGPBAR1ABCC1NR1H4
SCHEMBL1655224 0.91 VDR (0.77) ABCC4VDRGPBAR1ABCC1NR1H4
SCHEMBL22717115 0.91 GPBAR1 (0.79) ABCC4VDRGPBAR1NR1H4MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2221313-A1 Process for the preparation of ursodeoxycholic acid disodium 3,7-disulfate PRODOTTI CHIMICI E ALIMENTARI SPA (IT) 2010-08-25 EP claimed
WO-2003066657-A1 A PROCESS FOR PREPARING URSODEOXYCHOLIC ACID DUSULPHATE AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF ABC INTERNATIONAL PHARMA S.R.L. (IT) 2003-08-14 WO claimed
US-9724357-B2 Methods for preserving photoreceptor cell viability following retinal detachment MASSACHUSETTS EYE & EAR INFIRMARY (US) 2017-08-08 US disclosed
US-20140323455-A1 METHODS FOR PRESERVING PHOTORECEPTOR CELL VIABILITY FOLLOWING RETINAL DETACHMENT MASSACHUSETTS EYE AND EAR INFIRMARY (US) 2014-10-30 US disclosed
WO-2013025840-A1 METHODS FOR PRESERVING PHOTORECEPTOR CELL VIABILITY FOLLOWING RETINAL DETACHMENT MASSACHUSETTS EYE AND EAR INFIRMARY (US) 2013-02-21 WO disclosed
EP-2221313-A1 Process for the preparation of ursodeoxycholic acid disodium 3,7-disulfate PRODOTTI CHIMICI E ALIMENTARI SPA (IT) 2010-08-25 EP disclosed
EP-2221313-A1 Process for the preparation of ursodeoxycholic acid disodium 3,7-disulfate PRODOTTI CHIMICI E ALIMENTARI SPA (IT) 2010-08-25 EP disclosed
EP-0871452-B1 SULFATE CONJUGATES OF URSODEOXYCHOLIC ACID, AND THEIR BENEFICIAL USE IN INFLAMMATORY DISORDERS AND OTHER APPLICATIONS CHILDRENS HOSP MEDICAL CENTER (US) 2008-06-04 EP disclosed
US-20060204481-A1 Methods of promoting cell viability REGENTS OF THE UNIVERSITY OF MINNESOTA 2006-09-14 US disclosed
EP-1615497-A2 METHODS OF PROMOTING CELL VIABILITY REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2006-01-18 EP disclosed
WO-2004096123-A2 METHODS OF PROMOTING CELL VIABILITY REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2004-11-11 WO disclosed
WO-2004012686-A2 NITROSATED AND/OR NITROSYLATED URSODEOXYCHOLIC ACID COMPOUNDS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2004-02-12 WO disclosed
WO-2003066657-A1 A PROCESS FOR PREPARING URSODEOXYCHOLIC ACID DUSULPHATE AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF ABC INTERNATIONAL PHARMA S.R.L. (IT) 2003-08-14 WO disclosed
US-6251884-B1 PHARMACOLOGICALLY ACCEPTABLE COMPOSITION FOR INHIBITING OR TREATING LIVER DISEASE OR INFLAMMATORY CONDITION OF GASTROINTESTINAL TRACT IN MAMMAL, COMPRISING SULFATE OF URSODEOXYCHOLIC ACID OR SALT THEREOF, CARRIER CHILDREN'S HOSPITAL MEDICAL CENTER 2001-06-26 US disclosed
EP-0871452-A2 SULFATE CONJUGATES OF URSODEOXYCHOLIC ACID, AND THEIR BENEFICIAL USE IN INFLAMMATORY DISORDERS AND OTHER APPLICATIONS CHILDREN'S HOSPITAL MEDICAL CENTER (US) 1998-10-21 EP disclosed
US-5763435-A ADMINISTERING TO MAMMAL TO TREAT LIVER DISEASE OR INFLAMMATORY CONDITION OF GASTROINTESTINAL TRACT CHILDREN'S HOSPITAL MEDICAL CENTER (US) 1998-06-09 US disclosed
WO-1997018816-A9 SULFATE CONJUGATES OF URSODEOXYCHOLIC ACID, AND THEIR BENEFICIAL USE IN INFLAMMATORY DISORDERS AND OTHER APPLICATIONS 1997-10-09 WO disclosed
WO-1997018816-A2 SULFATE CONJUGATES OF URSODEOXYCHOLIC ACID, AND THEIR BENEFICIAL USE IN INFLAMMATORY DISORDERS AND OTHER APPLICATIONS CHILDREN'S HOSPITAL MEDICAL CENTER (US) 1997-05-29 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 (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-20140323455-A1 METHODS FOR PRESERVING PHOTORECEPTOR CELL VIABILITY FOLLOWING RETINAL DETACHMENT ALDH1A2, CRYAA, UACA ABCC4 2849/4885VDR 978/4885GPBAR1 22/4885

“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.