SCHEMBL6200975

SCHEMBL6200975

CCCCC(C=O)(CCCC)CS(=O)(=O)c1ccc(N(C)C)cc1Cc1ccc(OC)cc1

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.33
APP P05067 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
MAOB P27338 2/20 0.32
MAOA P21397 1/20 0.32
CALM1 P0DP23 2/20 0.32
ALDH1A1 P00352 1/20 0.31
MAPK1 P28482 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
SLC10A2 Q12908 3/20 0.31
CTSK P43235 1/20 0.31
CNR1 P21554 1/20 0.31
KEAP1 Q14145 1/20 0.31
NFE2L2 Q16236 1/20 0.31
AVPR1B P47901 1/20 0.30
APLNR P35414 1/20 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
SCHEMBL6200633 0.84 MMP2 (0.38) CNR2MEN1KMT2AMAOBALDH1A1
SCHEMBL6202677 0.84 TBXA2R (0.40) CNR2MEN1KMT2AALDH1A1L3MBTL1
SCHEMBL7837755 0.83 CNR2 (0.35) CNR2APPMEN1KMT2AMAOB
SCHEMBL7846237 0.83 APP (0.34) CNR2APPMEN1KMT2AMAOB
SCHEMBL6201097 0.80 CNR1 (0.38) CNR2ALDH1A1CNR1
SCHEMBL6202014 0.80 SLC10A2 (0.33) CNR2APPMEN1KMT2AMAOB
SCHEMBL16385373 0.78 MAOB (0.33) APPMAOBMAOACALM1SLC10A2
SCHEMBL7846110 0.77 CNR2 (0.37) CNR2APPMEN1KMT2ACALM1
SCHEMBL7837233 0.76 MEN1 (0.35) CNR2APPMEN1KMT2AMAOB
SCHEMBL6202055 0.74 CNR1 (0.38) CNR2ALDH1A1CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230212211-A1 BILE ACID RECYCLING INHIBITORS FOR TREATMENT OF HYPERCHOLEMIA AND CHOLESTATIC LIVER DISEASE SHIRE HUMAN GENETIC THERAPIES, INC. (US) 2023-07-06 US disclosed
US-20230212211-A1 BILE ACID RECYCLING INHIBITORS FOR TREATMENT OF HYPERCHOLEMIA AND CHOLESTATIC LIVER DISEASE SHIRE HUMAN GENETIC THERAPIES, INC. (US) 2023-07-06 US disclosed
US-11376251-B2 Bile acid recycling inhibitors for treatment of pediatric cholestatic liver diseases SHIRE HUMAN GENETIC THERAPIES, INC. (US) 2022-07-05 US disclosed
US-20220023296-A1 BILE ACID RECYCLING INHIBITORS FOR TREATMENT OF PEDIATRIC CHOLESTATIC LIVER DISEASES SHIRE HUMAN GENETIC THERAPIES, INC. (US) 2022-01-27 US disclosed
US-11229661-B2 Bile acid recycling inhibitors for treatment of pediatric cholestatic liver diseases SHIRE HUMAN GENETIC THERAPIES, INC. (US) 2022-01-25 US disclosed
US-20200207797-A1 BILE ACID RECYCLING INHIBITORS FOR TREATMENT OF HYPERCHOLEMIA AND CHOLESTATIC LIVER DISEASE LUMENA PHARMACEUTICALS LLC (US) 2020-07-02 US disclosed
US-20200069715-A1 BILE ACID RECYCLING INHIBITORS FOR TREATMENT OF PEDIATRIC CHOLESTATIC LIVER DISEASES LUMENA PHARMACEUTICALS LLC (US) 2020-03-05 US disclosed
US-20190169217-A1 BILE ACID RECYCLING INHIBITORS FOR TREATMENT OF HYPERCHOLEMIA AND CHOLESTATIC LIVER DISEASE LUMENA PHARMACEUTICALS LLC (US) 2019-06-06 US disclosed
US-20170368085-A1 BILE ACID RECYCLING INHIBITORS FOR TREATMENT OF PEDIATRIC CHOLESTATIC LIVER DISEASES LUMENA PHARMACEUTICALS LLC (US) 2017-12-28 US disclosed
US-20140275090-A1 BILE ACID RECYCLING INHIBITORS FOR TREATMENT OF PRIMARY SCLEROSING CHOLANGITIS AND INFLAMMATORY BOWEL DISEASE Lumena Pharmaceuticals, Inc. (US) 2014-09-18 US disclosed
US-20030232834-A1 Combination therapy for the prophylaxis and treatment of hyperlipidemic conditions and disorders KELLER BRADLEY T (US) 2003-12-18 US disclosed
WO-2003022804-A9 METHOD FOR THE PREPARATION OF CRYSTALLINE TETRAHYDROBENZOTHIEPINES SEARLE LLC (US) 2003-12-18 WO disclosed
US-20030199515-A1 Method for the preparation of crystalline tetrahydrobenzothiepines G.D. SEARLE, LLC (US) 2003-10-23 US disclosed
US-6586434-B2 Method for the preparation of tetrahydrobenzothiepines G.D. SEARLE, LLC 2003-07-01 US disclosed
WO-2003040127-A1 NOVEL MONO- AND DI-FLUORINATED BENZOTHIEPINE COMPOUNDS AS INHIBITORS OF APICAL SODIUM CO-DEPENDENT BILE ACID TRANSPORT (ASBT) AND TAUROCHOLATE UPTAKE G.D. SEARLE LLC (US) 2003-05-15 WO disclosed
WO-2003022804-A2 METHOD FOR THE PREPARATION OF CRYSTALLINE TETRAHYDROBENZOTHIEPINES G.D. SEARLE LLC (US) 2003-03-20 WO disclosed
EP-1286984-A2 METHOD FOR THE PREPARATION OF TETRAHYDROBENZOTHIEPINES Pharmacia Corporation (US) 2003-03-05 EP disclosed
US-20020061888-A1 Combination therapy for the prophylaxis and treatment of hyperlipidemic conditions and disorders G.D. SEARLE LLC 2002-05-23 US disclosed
US-20020032329-A1 Method for the preparation of tetrahydrobenzothiepines G.D. SEARLE LLC 2002-03-14 US disclosed
WO-2001068637-A2 METHOD FOR THE PREPARATION OF TETRAHYDROBENZOTHIEPINES PHARMACIA CORPORATION (US) 2001-09-20 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 (13 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 CNR2 3681/4885APP 3747/4885MEN1 3173/4885
US-20220023296-A1 BILE ACID RECYCLING INHIBITORS FOR TREATMENT OF PEDIATRIC CHOLESTATIC LIVER DISEASES SLC10A1, SLC10A2, ABCB11 CNR2 4747/4885APP 2588/4885MEN1 2972/4885
US-20230212211-A1 BILE ACID RECYCLING INHIBITORS FOR TREATMENT OF HYPERCHOLEMIA AND CHOLESTATIC LIVER DISEASE SLC10A1, SLC10A2, ABCB11 CNR2 3681/4885APP 3747/4885MEN1 3173/4885
US-20170368085-A1 BILE ACID RECYCLING INHIBITORS FOR TREATMENT OF PEDIATRIC CHOLESTATIC LIVER DISEASES SLC10A1, SLC10A2, ABCB11 CNR2 4747/4885APP 2588/4885MEN1 2972/4885
US-11376251-B2 Bile acid recycling inhibitors for treatment of pediatric cholestatic liver diseases SLC10A1, SLC10A2, ABCB11 CNR2 4747/4885APP 2588/4885MEN1 2972/4885
US-20030199515-A1 Method for the preparation of crystalline tetrahydrobenzothiepines TPMT, MPST, SULT1A1 CNR2 4152/4885APP 1108/4885MEN1 3859/4885
US-20030232834-A1 Combination therapy for the prophylaxis and treatment of hyperlipidemic conditions and disorders TOP2A, TOP2B, TYMP CNR2 1504/4885APP 4422/4885MEN1 2266/4885
US-20200207797-A1 BILE ACID RECYCLING INHIBITORS FOR TREATMENT OF HYPERCHOLEMIA AND CHOLESTATIC LIVER DISEASE SLC10A1, SLC10A2, ABCB11 CNR2 3681/4885APP 3747/4885MEN1 3173/4885
US-20020032329-A1 Method for the preparation of tetrahydrobenzothiepines TMT1A, THOP1, BBOX1 CNR2 2107/4885APP 1615/4885MEN1 1887/4885
US-20140275090-A1 BILE ACID RECYCLING INHIBITORS FOR TREATMENT OF PRIMARY SCLEROSING CHOLANGITIS AND INFLAMMATORY BOWEL DISEASE SLC10A2, SLC10A1, ABCB11 CNR2 3998/4885APP 4490/4885MEN1 3677/4885
US-11229661-B2 Bile acid recycling inhibitors for treatment of pediatric cholestatic liver diseases SLC10A1, SLC10A2, ABCB11 CNR2 4747/4885APP 2588/4885MEN1 2972/4885
US-20200069715-A1 BILE ACID RECYCLING INHIBITORS FOR TREATMENT OF PEDIATRIC CHOLESTATIC LIVER DISEASES SLC10A1, SLC10A2, ABCB11 CNR2 4747/4885APP 2588/4885MEN1 2972/4885
US-20020061888-A1 Combination therapy for the prophylaxis and treatment of hyperlipidemic conditions and disorders SLC10A1, HMGCR, SLC10A2 CNR2 3380/4885APP 3945/4885MEN1 1667/4885

“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.