SCHEMBL2687279

SCHEMBL2687279

CCCCC1(CCCC)CN(c2ccccc2)c2cc(SC)c(OCC(=O)N[C@@H](C(=O)NCC(=O)O)c3ccccc3)cc2S(=O)(=O)N1

nearest known ligand 0.76

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.76
SLC10A2 Q12908 12/20 0.35
CTSD P07339 3/20 0.32

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
SCHEMBL16415717 1.00 NR1H4 (0.76) NR1H4SLC10A2CTSD
SCHEMBL5743635 0.96 NR1H4 (0.83) NR1H4SLC10A2
SCHEMBL25249701 0.94 NR1H4 (0.77) NR1H4SLC10A2CTSD
SCHEMBL4732517 0.93 NR1H4 (0.74) NR1H4SLC10A2CTSD
SCHEMBL5691778 0.93 NR1H4 (0.74) NR1H4SLC10A2CTSD
SCHEMBL6049392 0.92 NR1H4 (0.73) NR1H4SLC10A2CTSD
SCHEMBL5407206 0.92 NR1H4 (0.80) NR1H4SLC10A2
SCHEMBL5793707 0.92 NR1H4 (0.80) NR1H4SLC10A2
SCHEMBL5142403 0.92 NR1H4 (0.76) NR1H4SLC10A2CTSD
SCHEMBL5843738 0.91 NR1H4 (0.64) NR1H4SLC10A2CTSD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3777864-A1 IBAT INHIBITORS FOR THE TREATMENT OF LIVER DISEASES Albireo AB (SE) 2021-02-17 EP claimed
EP-3400944-B1 IBAT INHIBITORS FOR THE TREATMENT OF LIVER DISEASES ALBIREO AB (SE) 2020-07-15 EP claimed
US-20200069715-A1 BILE ACID RECYCLING INHIBITORS FOR TREATMENT OF PEDIATRIC CHOLESTATIC LIVER DISEASES LUMENA PHARMACEUTICALS LLC (US) 2020-03-05 US claimed
US-10555950-B2 Bile acid recycling inhibitors for treatment of obesity and diabetes SATIOGEN PHARMACEUTICALS, INC. (US) 2020-02-11 US claimed
EP-3400944-A1 IBAT INHIBITORS FOR THE TREATMENT OF LIVER DISEASES Albireo AB (SE) 2018-11-14 EP claimed
EP-3023102-B1 IBAT INHIBITORS FOR THE TREATMENT OF LIVER DISEASES ALBIREO AB (SE) 2018-06-27 EP claimed
US-20160193277-A1 IBAT INHIBITORS FOR THE TREATMENT OF LIVER DISEASES ALBIREO AB (SE) 2016-07-07 US claimed
US-20160194353-A1 IBAT INHIBITORS FOR THE TREATMENT OF LIVER DISEASES ALBIREO AB (SE) 2016-07-07 US claimed
EP-3023102-A1 IBAT INHIBITORS FOR THE TREATMENT OF LIVER DISEASES Albireo AB (SE) 2016-05-25 EP claimed
US-9339480-B2 Bile acid recycling inhibitors for treatment of obesity and diabetes SATIOGEN PHARMACEUTICALS, INC. (US) 2016-05-17 US claimed
EP-2771003-A1 BILE ACID RECYCLING INHIBITORS FOR TREATMENT OF PEDIATRIC CHOLESTATIC LIVER DISEASES Lumena Pharmaceuticals, Inc. (US) 2014-09-03 EP claimed
US-20140243281-A1 BILE ACID RECYCLING INHIBITORS FOR TREATMENT OF PEDIATRIC CHOLESTATIC LIVER DISEASES Lumena Pharmaceuticals, Inc. (US) 2014-08-28 US claimed
EP-2637667-A1 IBAT INHIBITORS FOR TREATMENT OF METABOLIC DISORDERS AND RELATED CONDITIONS Albireo AB (SE) 2013-09-18 EP claimed
US-20130236541-A1 PHARMACEUTICAL COMBINATION COMPRISING AN IBAT INHIBITOR AND A BILE ACID BINDER ALBIREO AB (SE) 2013-09-12 US claimed
US-20130225511-A1 IBAT INHIBITORS FOR THE TREATMENT OF LIVER DISEASES ALBIREO AB (SE) 2013-08-29 US claimed
US-20130109671-A1 Bile Acid Recycling Inhibitors for Treatment of Pediatric Cholestatic Liver Diseases Lumena Pharmaceuticals, Inc. (US) 2013-05-02 US claimed
US-20130108573-A1 Bile Acid Recycling Inhibitors for Treatment of Hypercholemia and Cholestatic Liver Disease Lumena Pharmaceuticals, Inc. (US) 2013-05-02 US claimed
WO-2013063512-A1 BILE ACID RECYCLING INHIBITORS FOR TREATMENT OF PEDIATRIC CHOLESTATIC LIVER DISEASES LUMENA PHARMACEUTICALS, INC (US) 2013-05-02 WO claimed
WO-2013063526-A1 BILE ACID RECYCLING INHIBITORS FOR TREATMENT OF HYPERCHOLEMIA AND CHOLESTATIC LIVER DISEASE Lumena Pharmaceuticals, Inc. (US) 2013-05-02 WO claimed
WO-2012064268-A1 IBAT INHIBITORS FOR TREATMENT OF METABOLIC DISORDERS AND RELATED CONDITIONS ALBIREO AB (SE) 2012-05-18 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 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-20160194353-A1 IBAT INHIBITORS FOR THE TREATMENT OF LIVER DISEASES GPR119, SLC10A1, SLC10A2 NR1H4 46/4885SLC10A2 3/4885CTSD 2620/4885
US-20130109671-A1 Bile Acid Recycling Inhibitors for Treatment of Pediatric Cholestatic Liver Diseases SLC10A1, SLC10A2, ABCB11 NR1H4 4/4885SLC10A2 2/4885CTSD 877/4885
US-20160193277-A1 IBAT INHIBITORS FOR THE TREATMENT OF LIVER DISEASES GPR119, SLC10A1, SLC10A2 NR1H4 46/4885SLC10A2 3/4885CTSD 2620/4885
US-20140243281-A1 BILE ACID RECYCLING INHIBITORS FOR TREATMENT OF PEDIATRIC CHOLESTATIC LIVER DISEASES SLC10A1, SLC10A2, ABCB11 NR1H4 4/4885SLC10A2 2/4885CTSD 1207/4885
US-20130225511-A1 IBAT INHIBITORS FOR THE TREATMENT OF LIVER DISEASES GPR119, SLC10A1, SLC10A2 NR1H4 46/4885SLC10A2 3/4885CTSD 2620/4885
US-10555950-B2 Bile acid recycling inhibitors for treatment of obesity and diabetes SLC10A1, SLC10A2, ABCB11 NR1H4 5/4885SLC10A2 2/4885CTSD 1112/4885
US-20200069715-A1 BILE ACID RECYCLING INHIBITORS FOR TREATMENT OF PEDIATRIC CHOLESTATIC LIVER DISEASES SLC10A1, SLC10A2, ABCB11 NR1H4 4/4885SLC10A2 2/4885CTSD 877/4885
US-20130108573-A1 Bile Acid Recycling Inhibitors for Treatment of Hypercholemia and Cholestatic Liver Disease SLC10A1, SLC10A2, ABCB11 NR1H4 4/4885SLC10A2 2/4885CTSD 1470/4885
US-20130236541-A1 PHARMACEUTICAL COMBINATION COMPRISING AN IBAT INHIBITOR AND A BILE ACID BINDER SLC10A2, GIPR, GPBAR1 NR1H4 8/4885SLC10A2 1/4885CTSD 3141/4885

“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.