SCHEMBL918882

SCHEMBL918882

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

nearest known ligand 0.93

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.93
SLC10A2 Q12908 6/20 0.32
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
SCHEMBL4566711 1.00 NR1H4 (0.93) NR1H4SLC10A2CTSD
SCHEMBL19046549 1.00 NR1H4 (0.93) NR1H4SLC10A2CTSD
Odevixibat SCHEMBL17733623 0.96 NR1H4 (1.00) NR1H4SLC10A2
Odevixibat SCHEMBL946468 0.96 NR1H4 (1.00) NR1H4SLC10A2
Odevixibat SCHEMBL25794588 0.96 NR1H4 (1.00) NR1H4SLC10A2
Odevixibat SCHEMBL31121705 0.96 NR1H4 (1.00) NR1H4SLC10A2
Odevixibat SCHEMBL16414427 0.96 NR1H4 (1.00) NR1H4SLC10A2
Odevixibat SCHEMBL19046540 0.96 NR1H4 (1.00) NR1H4SLC10A2
SCHEMBL919672 0.96 NR1H4 (0.85) NR1H4SLC10A2CTSD
SCHEMBL25118211 0.95 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 271 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20190169217-A1 BILE ACID RECYCLING INHIBITORS FOR TREATMENT OF HYPERCHOLEMIA AND CHOLESTATIC LIVER DISEASE LUMENA PHARMACEUTICALS LLC (US) 2019-06-06 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
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
US-20160194353-A1 IBAT INHIBITORS FOR THE TREATMENT OF LIVER DISEASES ALBIREO AB (SE) 2016-07-07 US claimed
US-20160193277-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
WO-2005051381-A1 Substituted urea-octatydroindols as antagonists of melanin concentrating hormone receptor 1 (MCH1R) BIOVITRUM AB (SE) 2005-06-09 WO 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
WO-2004089350-A1 USE OF AN IBAT INHIBITOR FOR THE TREATMENT OF PROPHYLAXIS OF CONSTIPATION ASTRAZENECA AB (SE) 2004-10-21 WO claimed
EP-1458677-A1 3-PHENYL-2-ARYLALKYLTHIOPROPIONIC ACID DERIVATIVES AS SELECTIVE AGONISTS OF PPAR-ALPHA Astrazeneca AB (SE) 2004-09-22 EP claimed
EP-1458673-A1 SUBSTITUTED PHENYLPROPIONIC ACID DERIVATIVES AS AGONISTS TO HUMAN PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR ALPHA (PPAR) Astrazeneca AB (SE) 2004-09-22 EP claimed
EP-1458672-A1 SUBSTITUTED PHENYLPROPIONIC ACID DERIVATIVES AS AGONISTS TO HUMAN PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR ALPHA(PPAR) 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
WO-2003051822-A1 SUBSTITUTED PHENYLPROPIONIC ACID DERIVATIVES AS AGONISTS TO HUMAN PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR ALPHA (PPAR) ASTRAZENECA AB (SE) 2003-06-26 WO claimed
WO-2003051821-A1 SUBSTITUTED PHENYLPROPIONIC ACID DERIVATIVES AS AGONISTS TO HUMAN PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR ALPHA (PPAR) 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 (6 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-20190169217-A1 BILE ACID RECYCLING INHIBITORS FOR TREATMENT OF HYPERCHOLEMIA AND CHOLESTATIC LIVER DISEASE SLC10A1, SLC10A2, ABCB11 NR1H4 4/4885SLC10A2 2/4885CTSD 1470/4885
US-20160194353-A1 IBAT INHIBITORS FOR THE TREATMENT OF LIVER DISEASES GPR119, SLC10A1, SLC10A2 NR1H4 46/4885SLC10A2 3/4885CTSD 2620/4885
US-20160193277-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-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

“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.