SCHEMBL6201198

SCHEMBL6201198

CCCCC(C=O)(CC)CS(=O)(=O)c1ccccc1Cc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.36
CNR1 P21554 3/20 0.34
CNR2 P34972 2/20 0.32
GPR55 Q9Y2T6 2/20 0.32
GPR18 Q14330 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.31
MMP1 P03956 1/20 0.31
MMP9 P14780 1/20 0.31
MMP13 P45452 1/20 0.31

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
SCHEMBL8893617 0.89 CNR1 (0.34) ARCNR1CNR2GPR55GPR18
SCHEMBL6202055 0.85 CNR1 (0.38) CNR1CNR2GPR55PTGDR2
SCHEMBL6201097 0.85 CNR1 (0.38) CNR1CNR2GPR55PTGDR2
SCHEMBL6201511 0.84 AR (0.35) ARCNR1CNR2GPR55GPR18
SCHEMBL6200633 0.84 MMP2 (0.38) CNR1CNR2HTTL3MBTL1MMP1
SCHEMBL6201326 0.82 L3MBTL1 (0.37) ARCNR1CNR2GPR55GPR18
SCHEMBL6202434 0.79 CA12 (0.38) CNR2LMNA
SCHEMBL8801217 0.79 PTGES (0.39) L3MBTL1
SCHEMBL27534833 0.79 CNR1 (0.40) CNR1CNR2GPR55LMNAHTT
SCHEMBL6716613 0.78 L3MBTL1 (0.47) L3MBTL1MMP1MMP9MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6943189-B2 Combination therapy employing ileal bile acid transport inhibiting benzothiepines and HMG CO-A reductase inhibitors G.D. SEARLE & CO. (US) 2005-09-13 US disclosed
EP-0888333-B1 NOVEL BENZOTHIEPINES HAVING ACTIVITY AS INHIBITORS OF ILEAL BILE ACID TRANSPORT AND TAUROCHOLATE UPTAKE SEARLE LLC (US) 2005-08-31 EP disclosed
EP-1448546-A4 NOVEL MONO- AND DI-FLUORINATED BENZOTHIEPINE COMPOUNDS AS INHIBITORS OF APICAL SODIUM CO-DEPENDENT BILE ACID TRANSPORT (ASBT) AND TAUROCHOLATE UPTAKE SEARLE LLC (US) 2005-02-02 EP disclosed
US-20040204478-A1 Novel benzothiepines having activity as inhibitors of ileal bile acid transport and taurocholate uptake G.D. SEARLE & COMPANY 2004-10-14 US disclosed
US-20040176438-A1 Novel mono- and di-fluorinated beozothiepine copmunds as inhibitors of apical sodium co-dependent bile acid transport (ASBT) and taurocholate uptake G.D. SEARLE, LLC 2004-09-09 US disclosed
US-6784201-B2 FOR PROPHYLAXIS AND TREATMENT OF HYPERLIPIDEMIC CONDITIONS SUCH AS THOSE ASSOCIATED WITH ATHEROSCLEROSIS OR HYPERCHOLESTEROLEMIA G.D. SEARLE & COMPANY 2004-08-31 US disclosed
EP-1448546-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) 2004-08-25 EP disclosed
US-20040157915-A1 Combination therapy employing ileal bile acid transport inhibiting benzothiepines and HMG Co-A reductase inhibitors G.D. SEARLE & CO. (US) 2004-08-12 US disclosed
EP-1440972-A1 Novel benzothiepines having pharmaceutical activity. G.D. Searle & Co. (US) 2004-07-28 EP disclosed
US-6740663-B2 ANTIHYPERLIPIDEMIC AGENTS G.D. SEARLE, LLC 2004-05-25 US disclosed
CN-1255864-A Combination of ileal bile acid transport inhibiting benzothiepines and HMG Co-A reductase inhibitors SEARLE & CO (US) 2000-06-07 CN disclosed
EP-0971744-A2 COMBINATION THERAPY EMPLOYING ILEAL BILE ACID TRANSPORT INHIBITING BENZOTHIEPINES AND HMG Co-A REDUCTASE INHIBITORS G.D. SEARLE & CO. (US) 2000-01-19 EP disclosed
US-5994391-A HYPERLIPEMIC AGENTS; ANTICHOLESTEROL AGENTS G.D. SEARLE AND COMPANY (US) 1999-11-30 US disclosed
EP-0888333-A1 NOVEL BENZOTHIEPINES HAVING ACTIVITY AS INHIBITORS OF ILEAL BILE ACID TRANSPORT AND TAUROCHOLATE UPTAKE G.D. Searle & Co. (US) 1999-01-07 EP disclosed
WO-1998040375-A2 COMBINATION OF ILEAL BILE ACID TRANSPORT INHIBITING BENZOTHIEPINES AND HMG Co-A REDUCTASE INHIBITORS G.D. SEARLE & CO. (US) 1998-09-17 WO disclosed
WO-1997033882-A9 NOVEL BENZOTHIEPINES HAVING ACTIVITY AS INHIBITORS OF ILEAL BILE ACID TRANSPORT AND TAUROCHOLATE UPTAKE 1998-02-26 WO disclosed
CN-1162311-A Novel benzothiepines having activity as inhibitors of ileal bile acid transport and taurocholate uptake MONSANTO CO (US) 1997-10-15 CN disclosed
WO-1997033882-A1 NOVEL BENZOTHIEPINES HAVING ACTIVITY AS INHIBITORS OF ILEAL BILE ACID TRANSPORT AND TAUROCHOLATE UPTAKE G.D. SEARLE AND CO. (US) 1997-09-18 WO disclosed
EP-0781278-A1 NOVEL BENZOTHIEPINES HAVING ACTIVITY AS INHIBITORS OF ILEAL BILE ACID TRANSPORT AND TAUROCHOLATE UPTAKE MONSANTO COMPANY (US) 1997-07-02 EP disclosed
WO-1996008484-A1 NOVEL BENZOTHIEPINES HAVING ACTIVITY AS INHIBITORS OF ILEAL BILE ACID TRANSPORT AND TAUROCHOLATE UPTAKE MONSANTO COMPANY (US) 1996-03-21 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 (3 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-20040204478-A1 Novel benzothiepines having activity as inhibitors of ileal bile acid transport and taurocholate uptake SLC10A2, SLC10A1, ABCB11 AR 4518/4885CNR1 3451/4885CNR2 3421/4885
US-20040157915-A1 Combination therapy employing ileal bile acid transport inhibiting benzothiepines and HMG Co-A reductase inhibitors SLC10A2, SLC10A1, HMGCR AR 3505/4885CNR1 1532/4885CNR2 1836/4885
US-20040176438-A1 Novel mono- and di-fluorinated beozothiepine copmunds as inhibitors of apical sodium co-dependent bile acid transport (ASBT) and taurocholate uptake SLC10A1, SLC10A2, ABCB11 AR 3257/4885CNR1 4469/4885CNR2 4558/4885

“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.