SCHEMBL6201089

SCHEMBL6201089

CCC=CC(C=O)(CC)CSc1ccccc1C=O

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
THRB P10828 1/20 0.32
BLM P54132 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ALDH1A1 P00352 1/20 0.31
TSHR P16473 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
SCHEMBL6201092 1.00 MEN1 (0.32) MEN1LMNATHRBBLMKMT2A
SCHEMBL6202294 0.82 APOBEC3G (0.38)
SCHEMBL6202291 0.82 APOBEC3G (0.38)
SCHEMBL7760109 0.71 PTGS2 (0.47) MEN1LMNATHRBBLMKMT2A
SCHEMBL2801460 0.70 LMNA (0.48) MEN1LMNATHRBBLMKMT2A
SCHEMBL27390274 0.70 MEN1 (0.32) MEN1LMNATHRBBLMKMT2A
SCHEMBL11442458 0.69 CYP2C9 (0.36) LMNAALDH1A1
SCHEMBL11442459 0.69 CYP2C9 (0.36) LMNAALDH1A1
SCHEMBL8595709 0.68 PTGS2 (0.51) MEN1LMNATHRBBLMKMT2A
SCHEMBL6765848 0.67 PTGS2 (0.51) MEN1LMNATHRBBLMKMT2A

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 26 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
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-6268392-B1 Combination therapy employing ileal bile acid transport inhibiting benzothiepines and HMG Co-A reductase inhibitors G. D. SEARLE & CO. 2001-07-31 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
EP-0781278-B1 NOVEL BENZOTHIEPINES HAVING ACTIVITY AS INHIBITORS OF ILEAL BILE ACID TRANSPORT AND TAUROCHOLATE UPTAKE MONSANTO CO (US) 2001-03-14 EP 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
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-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 (4 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 MEN1 3385/4885LMNA 3300/4885THRB 1082/4885
US-20040204478-A1 Novel benzothiepines having activity as inhibitors of ileal bile acid transport and taurocholate uptake SLC10A2, SLC10A1, ABCB11 MEN1 3385/4885LMNA 3300/4885THRB 1082/4885
US-20040157915-A1 Combination therapy employing ileal bile acid transport inhibiting benzothiepines and HMG Co-A reductase inhibitors SLC10A2, SLC10A1, HMGCR MEN1 3240/4885LMNA 1897/4885THRB 2213/4885
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 MEN1 3336/4885LMNA 4622/4885THRB 3118/4885

“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.