SCHEMBL1655224

SCHEMBL1655224

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

nearest known ligand 0.77

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
VDR P11473 2/20 0.77
ABCC4 O15439 2/20 0.77
GPBAR1 Q8TDU6 9/20 0.72
NR1H4 Q96RI1 4/20 0.72
MEN1 O00255 2/20 0.72
KMT2A Q03164 2/20 0.72
ABCB11 O95342 2/20 0.72
SLC10A2 Q12908 2/20 0.72
SLC10A1 Q14973 2/20 0.72
LMNA P02545 1/20 0.72
CYP2C19 P33261 1/20 0.72
CHRM2 P08172 1/20 0.72
ADRA2A P08913 1/20 0.72
ADRA1A P35348 1/20 0.72
TDP1 Q9NUW8 1/20 0.72
ENPP2 Q13822 1/20 0.72
CISD1 Q9NZ45 1/20 0.72
CYP3A4 P08684 1/20 0.72
ABCC1 P33527 1/20 0.64

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
SCHEMBL18280265 1.00 VDR (0.77) VDRABCC4GPBAR1NR1H4MEN1
SCHEMBL18280267 1.00 VDR (0.77) VDRABCC4GPBAR1NR1H4MEN1
SCHEMBL1654530 1.00 VDR (0.77) VDRABCC4GPBAR1NR1H4MEN1
SCHEMBL28901763 1.00 VDR (0.77) VDRABCC4GPBAR1NR1H4MEN1
SCHEMBL19360936 0.93 VDR (0.77) VDRABCC4GPBAR1NR1H4MEN1
Ursulcholic Acid SCHEMBL5683101 0.92 GPBAR1 (0.72) VDRABCC4GPBAR1NR1H4MEN1
Ursulcholic Acid SCHEMBL27095060 0.91 ABCC4 (0.77) VDRABCC4GPBAR1NR1H4MEN1
Ursulcholic Acid SCHEMBL2919469 0.91 ABCC4 (0.77) VDRABCC4GPBAR1NR1H4MEN1
Ursulcholic Acid SCHEMBL6269998 0.91 ABCC4 (0.77) VDRABCC4GPBAR1NR1H4MEN1
SCHEMBL232879 0.91 ABCC4 (0.79) VDRABCC4GPBAR1NR1H4MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12569502-B2 Use of bile acids and derivatives thereof in preparation of GPR39 agonist PEKING UNIVERSITY (CN) 2026-03-10 US claimed
WO-2024086920-A1 BIOMARKER FOR MONITORING DISEASE PROGRESSION OF PATIENTS WITH FONTAN CIRCULATION AND A THEREAPEUTIC TARGET THEREFOR UNIVERSITY OF MANITOBA (CA) 2024-05-02 WO claimed
US-20220016138-A1 SYNTHETIC DERIVATIVES OF CHOLIC ACID 7-SULFATE AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2022-01-20 US claimed
EP-3890745-A1 SYNTHETIC DERIVATIVES OF CHOLIC ACID 7-SULFATE AND USES THEREOF President and Fellows of Harvard College (US) 2021-10-13 EP claimed
WO-2020117945-A1 SYNTHETIC DERIVATIVES OF CHOLIC ACID 7-SULFATE AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2020-06-11 WO claimed
EP-0117570-B1 SODIUM SALT OF URSODEOXYCHOLIC SULPHATE ISTITUTO BIOLOGICO CHEMIOTERAPICO "ABC" S.p.A. (IT) 1986-09-03 EP claimed
WO-2024086920-A1 BIOMARKER FOR MONITORING DISEASE PROGRESSION OF PATIENTS WITH FONTAN CIRCULATION AND A THEREAPEUTIC TARGET THEREFOR UNIVERSITY OF MANITOBA (CA) 2024-05-02 WO disclosed
US-9724357-B2 Methods for preserving photoreceptor cell viability following retinal detachment MASSACHUSETTS EYE & EAR INFIRMARY (US) 2017-08-08 US disclosed
US-20160051567-A1 PREVENTION AND TREATMENT OF KIDNEY DAMAGE METSELEX, INC. (US) 2016-02-25 US disclosed
US-20150072967-A1 TAUROURSODEOXYCHOLIC ACID ATTENTUATES OR ABOLISHES FORMATION AND DEPOSITION OF AMYLOID-B PEPTIDE METSELEX, INC. (US) 2015-03-12 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-2014160877-A1 PREVENTION AND TREATMENT OF KIDNEY DAMAGE BY BILE ACIDS METSELEX, INC. (US) 2014-10-02 WO disclosed
US-20140234398-A1 Dissolution of Arterial Plaque ATHERONOVA OPERATIONS, INC. (US) 2014-08-21 US disclosed
WO-2004043342-A2 METHODS OF TREATING INJURIES OF THE NERVOUS SYSTEM ASSOCIATED WITH HEMORRHAGE REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2004-05-27 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
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 (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-20220016138-A1 SYNTHETIC DERIVATIVES OF CHOLIC ACID 7-SULFATE AND USES THEREOF CYP7A1, NR1H4, CYP7B1 VDR 185/4885ABCC4 1992/4885GPBAR1 31/4885
US-20140323455-A1 METHODS FOR PRESERVING PHOTORECEPTOR CELL VIABILITY FOLLOWING RETINAL DETACHMENT ALDH1A2, CRYAA, UACA VDR 978/4885ABCC4 2849/4885GPBAR1 22/4885
US-12569502-B2 Use of bile acids and derivatives thereof in preparation of GPR39 agonist GPR39, GPBAR1, GPR119 VDR 154/4885ABCC4 2176/4885GPBAR1 2/4885

“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.