SCHEMBL919672

SCHEMBL919672

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

nearest known ligand 0.85

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.85
SLC10A2 Q12908 3/20 0.33
CTSD P07339 3/20 0.30

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
SCHEMBL5743383 0.97 NR1H4 (0.85) NR1H4SLC10A2CTSD
SCHEMBL4566711 0.96 NR1H4 (0.93) NR1H4SLC10A2CTSD
SCHEMBL19046549 0.96 NR1H4 (0.93) NR1H4SLC10A2CTSD
SCHEMBL918882 0.96 NR1H4 (0.93) NR1H4SLC10A2CTSD
SCHEMBL5744007 0.94 NR1H4 (0.92) NR1H4SLC10A2
SCHEMBL25118211 0.93 NR1H4 (0.85) NR1H4SLC10A2CTSD
SCHEMBL918893 0.93 NR1H4 (0.85) NR1H4SLC10A2CTSD
SCHEMBL21968920 0.93 NR1H4 (0.85) NR1H4SLC10A2CTSD
SCHEMBL19046596 0.93 NR1H4 (0.85) NR1H4SLC10A2CTSD
SCHEMBL17772069 0.93 NR1H4 (0.85) 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 151 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-1427423-B9 BENZOTHIAZEPINE AND BENZOTHIADIAZEPINE DERIVATIVES WITH ILEAL BILE ACID TRANSPORT (IBAT) INHIBITORY ACTIVITY FOR THE TREATMENT HYPERLIPIDAEMIA ASTRAZENECA AB (SE) 2017-12-20 EP claimed
EP-2968230-A2 BILE ACID RECYCLING INHIBITORS FOR TREATMENT OF PRIMARY SCLEROSING CHOLANGITIS AND INFLAMMATORY BOWEL DISEASE Lumena Pharmaceuticals, Inc. (US) 2016-01-20 EP claimed
EP-2968262-A1 BILE ACID RECYCLING INHIBITORS FOR TREATMENT OF BARRETT'S ESOPHAGUS AND GASTROESOPHAGEAL REFLUX DISEASE Lumena Pharmaceuticals, Inc. (US) 2016-01-20 EP claimed
WO-2014144485-A9 BILE ACID RECYCLING INHIBITORS FOR TREATMENT OF BARRETT'S ESOPHAGUS AND GASTROESOPHAGEAL REFLUX DISEASE Lumena Pharmaceuticals, Inc. (US) 2015-01-15 WO claimed
US-20140323412-A1 BILE ACID RECYCLING INHIBITORS FOR TREATMENT OF HYPERCHOLEMIA AND CHOLESTATIC LIVER DISEASE LUMENA PHARMACEUTICALS LLC 2014-10-30 US claimed
WO-2014144485-A1 BILE ACID RECYCLING INHIBITORS FOR TREATMENT OF BARRETT'S ESOPHAGUS AND GASTROESOPHAGEAL REFLUX DISEASE Lumena Pharmaceuticals, Inc. (US) 2014-09-18 WO claimed
WO-2014144650-A2 BILE ACID RECYCLING INHIBITORS FOR TREATMENT OF PRIMARY SCLEROSING CHOLANGITIS AND INFLAMMATORY BOWEL DISEASE Lumena Pharmaceuticals, Inc. (US) 2014-09-18 WO claimed
US-20140271734-A1 BILE ACID RECYCLING INHIBITORS FOR TREATMENT OF BARRETT'S ESOPHAGUS AND GASTROESOPHAGEAL REFLUX DISEASE Lumena Pharmaceuticals, Inc. 2014-09-18 US claimed
US-20060083790-A1 Combination of an ibat inhibitor and a metal salt for the treatment of diarrhoea ALBIREO AB (SE) 2006-04-20 US claimed
US-20050215630-A1 3-Phenyl-2-arylalkylthiopropionic acid derivatives as selective agonists of ppar-alpha ASTRAZENECA AB (SE) 2005-09-29 US claimed
EP-1572626-A1 THERAPEUTIC AGENTS Astrazeneca AB (SE) 2005-09-14 EP claimed
US-20050171204-A1 Substituted phenylpropionic acid derivatives as agonists to human peroxisome proliferator-activated receptor alpha (ppar) ASTRAZENECA AB (SE) 2005-08-04 US claimed
US-20050131068-A1 Therapeutic agents ASTRAZENECA AB (SE) 2005-06-16 US claimed
US-20050113362-A1 Substituted phenypropionic acid derivatives as agonists to human peroxisome proliferator-activated receptor alpha (ppar) ASTRAZENECA AB R & D HEADQUARTERS - GLOBAL IINTELLECTUAL PROPERT (SE) 2005-05-26 US claimed
US-20050038009-A1 Benzothiazepine and benzothiazepine derivatives with ileal bile acid transport (ibat) inhibitory activity for the treatment hyperlipidaemia ALBIREO AB (SE) 2005-02-17 US claimed
EP-1458677-A1 3-PHENYL-2-ARYLALKYLTHIOPROPIONIC ACID DERIVATIVES AS SELECTIVE AGONISTS OF PPAR-ALPHA Astrazeneca AB (SE) 2004-09-22 EP claimed
WO-2004056748-A1 THERAPEUTIC AGENTS ASTRAZENECA AB (SE) 2004-07-08 WO claimed
WO-2003051826-A1 3-PHENYL-2-ARYLALKYLTHIOPROPIONIC ACID DERIVATIVES AS SELECTIVE AGONISTS OF PPAR-ALPHA ASTRAZENECA AB (SE) 2003-06-26 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 (10 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-20140323412-A1 BILE ACID RECYCLING INHIBITORS FOR TREATMENT OF HYPERCHOLEMIA AND CHOLESTATIC LIVER DISEASE SLC10A1, SLC10A2, ABCB11 NR1H4 4/4885SLC10A2 2/4885CTSD 1470/4885
US-20050131068-A1 Therapeutic agents GPR119, INSR, LIPA NR1H4 94/4885SLC10A2 175/4885CTSD 2273/4885
US-20060083790-A1 Combination of an ibat inhibitor and a metal salt for the treatment of diarrhoea SLC10A2, SI, SLC6A1 NR1H4 303/4885SLC10A2 1/4885CTSD 3091/4885
US-10555950-B2 Bile acid recycling inhibitors for treatment of obesity and diabetes SLC10A1, SLC10A2, ABCB11 NR1H4 5/4885SLC10A2 2/4885CTSD 1112/4885
US-20050113362-A1 Substituted phenypropionic acid derivatives as agonists to human peroxisome proliferator-activated receptor alpha (ppar) PPARA, PPARD, PPARG NR1H4 33/4885SLC10A2 434/4885CTSD 3213/4885
US-20140271734-A1 BILE ACID RECYCLING INHIBITORS FOR TREATMENT OF BARRETT'S ESOPHAGUS AND GASTROESOPHAGEAL REFLUX DISEASE SLC10A2, SLC10A1, ABCB11 NR1H4 4/4885SLC10A2 1/4885CTSD 2319/4885
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-20050038009-A1 Benzothiazepine and benzothiazepine derivatives with ileal bile acid transport (ibat) inhibitory activity for the treatment hyperlipidaemia SLC10A2, SLC10A1, ABCB11 NR1H4 4/4885SLC10A2 1/4885CTSD 3216/4885
US-20050171204-A1 Substituted phenylpropionic acid derivatives as agonists to human peroxisome proliferator-activated receptor alpha (ppar) PPARA, PPARD, PPARG NR1H4 46/4885SLC10A2 209/4885CTSD 3453/4885
US-20050215630-A1 3-Phenyl-2-arylalkylthiopropionic acid derivatives as selective agonists of ppar-alpha PPARA, PPARG, PPARD NR1H4 41/4885SLC10A2 557/4885CTSD 3115/4885

“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.