SCHEMBL6202677

SCHEMBL6202677

CCCCC(C=O)(CCCC)CS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cc1ccc(OC)cc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 1/20 0.40
CYP19A1 P11511 2/20 0.39
CNR1 P21554 1/20 0.38
ACHE P22303 1/20 0.38
CNR2 P34972 1/20 0.38
KMT2A Q03164 3/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 2/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
POLB P06746 2/20 0.37
GAA P10253 2/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
KCNJ1 P48048 1/20 0.35
KCNH2 Q12809 1/20 0.35
RAB9A P51151 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL14901037 0.85 TBXA2R (0.40) TBXA2RCYP19A1CNR1ACHECNR2
SCHEMBL16200825 0.83 MAPT (0.40) TBXA2RCYP19A1CNR1ACHECNR2
SCHEMBL6200633 0.83 MMP2 (0.38) CNR1CNR2KMT2AMAPTMEN1
SCHEMBL30804969 0.82 CNR2 (0.34) CNR1CNR2KMT2AMEN1ALDH1A1
SCHEMBL6202633 0.82 ALDH1A1 (0.40) TBXA2RCYP19A1CNR1KMT2AMAPT
SCHEMBL6201097 0.80 CNR1 (0.38) CNR1CNR2ALDH1A1
SCHEMBL12196411 0.78 CCR2 (0.36) CYP19A1CNR1MAPTPOLBALDH1A1
SCHEMBL12196413 0.78 CCR2 (0.36) CYP19A1CNR1MAPTPOLBALDH1A1
SCHEMBL8204279 0.76 ALDH1A1 (0.39) TBXA2RCYP19A1CNR1KMT2AMAPT
SCHEMBL28565640 0.75 CYP19A1 (0.48) CYP19A1CNR2KMT2AMAPTMEN1

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 37 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-20170368085-A1 BILE ACID RECYCLING INHIBITORS FOR TREATMENT OF PEDIATRIC CHOLESTATIC LIVER DISEASES LUMENA PHARMACEUTICALS LLC (US) 2017-12-28 US disclosed
US-20160310518-A1 BILE ACID RECYCLING INHIBITORS FOR TREATMENT OF PEDIATRIC CHOLESTATIC LIVER DISEASES LUMENA PHARMACEUTICALS LLC (US) 2016-10-27 US disclosed
US-20160310518-A1 BILE ACID RECYCLING INHIBITORS FOR TREATMENT OF PEDIATRIC CHOLESTATIC LIVER DISEASES LUMENA PHARMACEUTICALS LLC (US) 2016-10-27 US disclosed
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 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-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-20140271734-A1 BILE ACID RECYCLING INHIBITORS FOR TREATMENT OF BARRETT'S ESOPHAGUS AND GASTROESOPHAGEAL REFLUX DISEASE Lumena Pharmaceuticals, Inc. 2014-09-18 US disclosed
US-20140271734-A1 BILE ACID RECYCLING INHIBITORS FOR TREATMENT OF BARRETT'S ESOPHAGUS AND GASTROESOPHAGEAL REFLUX DISEASE Lumena Pharmaceuticals, Inc. 2014-09-18 US disclosed
US-20140243281-A1 BILE ACID RECYCLING INHIBITORS FOR TREATMENT OF PEDIATRIC CHOLESTATIC LIVER DISEASES Lumena Pharmaceuticals, Inc. (US) 2014-08-28 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 (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-20230212211-A1 BILE ACID RECYCLING INHIBITORS FOR TREATMENT OF HYPERCHOLEMIA AND CHOLESTATIC LIVER DISEASE SLC10A1, SLC10A2, ABCB11 TBXA2R 4035/4885CYP19A1 2563/4885CNR1 3830/4885
US-20170368085-A1 BILE ACID RECYCLING INHIBITORS FOR TREATMENT OF PEDIATRIC CHOLESTATIC LIVER DISEASES SLC10A1, SLC10A2, ABCB11 TBXA2R 4620/4885CYP19A1 1737/4885CNR1 4616/4885
US-20030199515-A1 Method for the preparation of crystalline tetrahydrobenzothiepines TPMT, MPST, SULT1A1 TBXA2R 2660/4885CYP19A1 2669/4885CNR1 3970/4885
US-20030232834-A1 Combination therapy for the prophylaxis and treatment of hyperlipidemic conditions and disorders TOP2A, TOP2B, TYMP TBXA2R 2519/4885CYP19A1 2502/4885CNR1 2111/4885
US-20140243281-A1 BILE ACID RECYCLING INHIBITORS FOR TREATMENT OF PEDIATRIC CHOLESTATIC LIVER DISEASES SLC10A1, SLC10A2, ABCB11 TBXA2R 4653/4885CYP19A1 1809/4885CNR1 4479/4885
US-20020032329-A1 Method for the preparation of tetrahydrobenzothiepines TMT1A, THOP1, BBOX1 TBXA2R 394/4885CYP19A1 1022/4885CNR1 1896/4885
US-20140275090-A1 BILE ACID RECYCLING INHIBITORS FOR TREATMENT OF PRIMARY SCLEROSING CHOLANGITIS AND INFLAMMATORY BOWEL DISEASE SLC10A2, SLC10A1, ABCB11 TBXA2R 3234/4885CYP19A1 3904/4885CNR1 3894/4885
US-20140271734-A1 BILE ACID RECYCLING INHIBITORS FOR TREATMENT OF BARRETT'S ESOPHAGUS AND GASTROESOPHAGEAL REFLUX DISEASE SLC10A2, SLC10A1, ABCB11 TBXA2R 2906/4885CYP19A1 4546/4885CNR1 4389/4885
US-20020061888-A1 Combination therapy for the prophylaxis and treatment of hyperlipidemic conditions and disorders SLC10A1, HMGCR, SLC10A2 TBXA2R 3515/4885CYP19A1 1094/4885CNR1 2968/4885
US-20160310518-A1 BILE ACID RECYCLING INHIBITORS FOR TREATMENT OF PEDIATRIC CHOLESTATIC LIVER DISEASES SLC10A1, SLC10A2, ABCB11 TBXA2R 4620/4885CYP19A1 1737/4885CNR1 4616/4885

“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.