Maralixibat

Maralixibat

SCHEMBL2564749

CCCCC1(CCCC)CS(=O)(=O)c2ccc(N(C)C)cc2C(c2ccc(OCc3ccc(C[N+]45CCN(CC4)CC5)cc3)cc2)C1O.[Cl-]

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

SLC10A2

The experimentally established mechanism targets of Maralixibat. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SLC10A2 known ✓ Q12908 20/20 1.00

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
Maralixibat SCHEMBL6336189 1.00 SLC10A2 (1.00) SLC10A2
Maralixibat SCHEMBL6336186 1.00 SLC10A2 (1.00) SLC10A2
Maralixibat SCHEMBL2564753 1.00 SLC10A2 (1.00) SLC10A2
Maralixibat SCHEMBL10013954 0.99 SLC10A2 (1.00) SLC10A2
Maralixibat SCHEMBL18176641 0.99 SLC10A2 (1.00) SLC10A2
SCHEMBL27193090 0.97 SLC10A2 (0.96) SLC10A2
SCHEMBL27193088 0.92 SLC10A2 (0.87) SLC10A2
Hydrochloric Acid SCHEMBL6336188 0.92 SLC10A2 (0.85) SLC10A2
SCHEMBL27206765 0.91 SLC10A2 (0.85) SLC10A2
Hydrochloric Acid SCHEMBL27206760 0.91 SLC10A2 (0.84) SLC10A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210322360-A1 SELF-MICELLIZING FATTY ACIDS AND FATTY ACID ESTER COMPOSITIONS AND THEIR USE IN THE TREATMENT OF DISEASE STATES MICELLE BIOPHARMA, INC. (US) 2021-10-21 US disclosed
US-20210322359-A1 SICKLE CELL DISEASE TREATMENT UTILIZING OMEGA-3 FATTY ACIDS MICELLE BIOPHARMA, INC. (US) 2021-10-21 US disclosed
US-10898458-B2 Self-micellizing fatty acids and fatty acid ester compositions and their use in the treatment of disease states MICELLE BIOPHARMA, INC. (US) 2021-01-26 US disclosed
US-10894027-B2 Sickle cell disease treatment utilizing omega-3 fatty acids MICELLE BIOPHARMA, INC. (US) 2021-01-19 US disclosed
US-20200330422-A1 Formulations for Treating and/or Preventing Disease MICELLE BIOPHARMA, INC. (US) 2020-10-22 US disclosed
US-20200093779-A1 Sickle Cell Disease Treatment Utilizing Omega-3 Fatty Acids MICELLE BIOPHARMA, INC. (US) 2020-03-26 US disclosed
US-20170258752-A1 SELF-MICELLIZING FATTY ACIDS AND FATTY ACID ESTER COMPOSITIONS AND THEIR USE IN THE TREATMENT OF DISEASE STATES SANCILIO & COMPANY, INC. (US) 2017-09-14 US disclosed
US-20160296492-A1 SELF-MICELLIZING FATTY ACIDS AND FATTY ACID ESTER COMPOSITIONS AND THEIR USE IN THE TREATMENT OF DISEASE STATES SANCILIO & COMPANY, INC. (US) 2016-10-13 US disclosed
EP-1535913-B1 NOVEL QUATERNARY AMMONIUM COMPOUNDS ASAHI KASEI PHARMA CORP (JP) 2011-11-02 EP disclosed
US-7803792-B2 Quaternary ammonium compounds ASAHI KASEI PHARMA CORPORATION (JP) 2010-09-28 US disclosed
US-6740663-B2 ANTIHYPERLIPIDEMIC AGENTS G.D. SEARLE, LLC 2004-05-25 US disclosed
US-20040014803-A1 Novel benzothiepines having activity as inhibitors of lleal bile acid transport and taurocholate uptake G.D. SEARLE & CO. (US) 2004-01-22 US disclosed
EP-1091953-B1 NOVEL BENZOTHIEPINES HAVING ACTIVITY AS INHIBITORS OF ILEAL BILE ACID TRANSPORT AND TAUROCHOLATE UPTAKE SEARLE & CO (US) 2003-12-10 EP disclosed
EP-1042314-B1 METHOD OF PREPARING ENANTIOMERICALLY-ENRICHED TETRAHYDROBENZOTHIEPINE OXIDES SEARLE & CO (US) 2003-03-19 EP disclosed
US-6387924-B2 ATHEROSCLEROSIS; ANTICHOLESTEROL AGENTS; ANTILIPIDEMIC AGENTS G.D. SEARLE & CO. 2002-05-14 US disclosed
US-6369220-B1 OXIDIZING AN ARYL-3-HYDROXYPROPYLSULFIDE; OXIDIZING 3-HYDROXY GROUP INTO ARYL-3-PROPANALSULFOXIDE; CYCLIZATION G.D. SEARLE, LLC 2002-04-09 US disclosed
US-20020013476-A1 Novel benzothiepines having activity as inhibitors of ileal bile acid transport and taurocholate uptake G.D. SEARLE & CO. 2002-01-31 US disclosed
US-6262277-B1 IN MEDICINE FOR PROPHYLAXIS AND THERAPY OF HYPERLIPIDEMIC CONDITIONS SUCH AS THOSE ASSOCIATED WITH ATHEROSCLEROSIS OR HYPERCHOLESTEROLEMIA, IN MAMMALS G.D. SEARLE AND COMPANY 2001-07-17 US disclosed
US-6107494-A FOR TREATMENT OF HYPERLIPIDEMIC CONDITIONS SUCH AS THOSE ASSOCIATED WITH ATHEROSCLEROSIS OR HYPERCHOLESTEROLEMIA, IN MAMMALS G.D. SEARLE AND COMPANY (US) 2000-08-22 US disclosed
US-5994391-A HYPERLIPEMIC AGENTS; ANTICHOLESTEROL AGENTS G.D. SEARLE AND COMPANY (US) 1999-11-30 US 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-20020013476-A1 Novel benzothiepines having activity as inhibitors of ileal bile acid transport and taurocholate uptake SLC10A2, SLC10A1, ABCB11 SLC10A2 1/4885
US-20040014803-A1 Novel benzothiepines having activity as inhibitors of lleal bile acid transport and taurocholate uptake SLC10A1, SLC10A2, NR1H4 SLC10A2 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.