SCHEMBL4622117

SCHEMBL4622117

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

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 9/20 0.79
▸ NR1H4 Q96RI1 4/20 0.72
▸ TDP1 Q9NUW8 3/20 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
▸ LMNA P02545 2/20 0.72
▸ CYP3A4 P08684 2/20 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
▸ ENPP2 Q13822 1/20 0.72
▸ SLC10A1 Q14973 1/20 0.72
▸ CISD1 Q9NZ45 1/20 0.72
▸ CASP7 P55210 3/20 0.65
▸ TP53 P04637 2/20 0.65
▸ MAPK1 P28482 2/20 0.65
▸ HSD17B10 Q99714 2/20 0.65

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
SCHEMBL5084428 1.00 GPBAR1 (0.79) GPBAR1NR1H4TDP1MEN1KMT2A
SCHEMBL1656467 1.00 GPBAR1 (0.79) GPBAR1NR1H4TDP1MEN1KMT2A
SCHEMBL22717115 1.00 GPBAR1 (0.79) GPBAR1NR1H4TDP1MEN1KMT2A
Ursulcholic Acid SCHEMBL5683101 0.92 GPBAR1 (0.72) GPBAR1NR1H4TDP1MEN1KMT2A
Ursulcholic Acid SCHEMBL27095060 0.91 ABCC4 (0.77) GPBAR1NR1H4TDP1MEN1KMT2A
Ursulcholic Acid SCHEMBL2919469 0.91 ABCC4 (0.77) GPBAR1NR1H4TDP1MEN1KMT2A
Ursulcholic Acid SCHEMBL6269998 0.91 ABCC4 (0.77) GPBAR1NR1H4TDP1MEN1KMT2A
SCHEMBL24208313 0.90 GPBAR1 (0.75) GPBAR1NR1H4TDP1MEN1KMT2A
SCHEMBL22079151 0.90 GPBAR1 (0.75) GPBAR1NR1H4TDP1MEN1KMT2A
SCHEMBL21710942 0.90 GPBAR1 (0.72) 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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
WO-2013142490-A2 TAUROURSODEOXYCHOLIC ACID ATTENUATES OR ABOLISHES FORMATION AND DEPOSITION OF AMYLOID-B PEPTIDE METSELEX, INC. (US) 2013-09-26 — — WO 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-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
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 (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-20220016138-A1 SYNTHETIC DERIVATIVES OF CHOLIC ACID 7-SULFATE AND USES THEREOF CYP7A1, NR1H4, CYP7B1 GPBAR1 31/4885NR1H4 2/4885TDP1 3877/4885
US-20140323455-A1 METHODS FOR PRESERVING PHOTORECEPTOR CELL VIABILITY FOLLOWING RETINAL DETACHMENT ALDH1A2, CRYAA, UACA GPBAR1 22/4885NR1H4 6/4885TDP1 1283/4885

“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.

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