SCHEMBL6308085

SCHEMBL6308085

CC(C)(C)OC(=O)[N]OC(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.38
DGAT1 O75907 1/20 0.33
HDAC6 Q9UBN7 2/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32

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
SCHEMBL6113101 0.77 ELANE (0.42) ELANEDGAT1HDAC6HDAC1HDAC2
SCHEMBL9326229 0.75 ELANE (0.41) ELANEDGAT1HDAC6HDAC1HDAC2
SCHEMBL28653916 0.73 ELANE (0.39) ELANEDGAT1HDAC6HDAC1HDAC2
SCHEMBL29121 0.73 DGAT1 (0.46) ELANEDGAT1HDAC6HDAC1HDAC2
SCHEMBL8503697 0.71 ELANE (0.38) ELANEDGAT1HDAC6HDAC1HDAC2
SCHEMBL77788 0.71 DGAT1 (0.40) ELANEDGAT1
SCHEMBL796349 0.71 DGAT1 (0.40) ELANEDGAT1
SCHEMBL191648 0.71 DGAT1 (0.40) ELANEDGAT1
SCHEMBL77789 0.71 DGAT1 (0.40) ELANEDGAT1
Fluoride SCHEMBL2692246 0.70 DGAT1 (0.43) ELANEDGAT1HDAC6HDAC1HDAC2

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 20 patents. 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
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
EP-1466911-A2 Preparation of benzothiepines having activity as inhibitors of ileal bile acid transport and taurocholate uptake G.D. Searle & Co. (US) 2004-10-13 EP 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
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-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
US-6642268-B2 Treatment of hyperlipidemic conditions such as those associated with atherosclerosis or hypercholesterolemia, in mammals. G.D. SEARLE & CO. 2003-11-04 US disclosed
US-20030171426-A1 Combination therapy employing ileal bile acid transport inhibiting benzothiepiens and HMG Co-A reductase inhibitors G.D. SEARLE & CO. (US) 2003-09-11 US disclosed
US-6420417-B1 TREATMENT OF HYPERLIPIDEMIC CONDITIONS SUCH AS THOSE ASSOCIATED WITH ATHEROSCLEROSIS OR HYPERCHOLESTEROLEMIA IN MAMMALS G. D. SEARLE & CO. 2002-07-16 US disclosed
US-6387924-B2 ATHEROSCLEROSIS; ANTICHOLESTEROL AGENTS; ANTILIPIDEMIC AGENTS G.D. SEARLE & CO. 2002-05-14 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
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 (5 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 ELANE 3186/4885DGAT1 389/4885HDAC6 2078/4885
US-20040204478-A1 Novel benzothiepines having activity as inhibitors of ileal bile acid transport and taurocholate uptake SLC10A2, SLC10A1, ABCB11 ELANE 3186/4885DGAT1 389/4885HDAC6 2078/4885
US-20040157915-A1 Combination therapy employing ileal bile acid transport inhibiting benzothiepines and HMG Co-A reductase inhibitors SLC10A2, SLC10A1, HMGCR ELANE 3065/4885DGAT1 547/4885HDAC6 2797/4885
US-20030171426-A1 Combination therapy employing ileal bile acid transport inhibiting benzothiepiens and HMG Co-A reductase inhibitors SLC10A2, SLC10A1, HMGCR ELANE 2873/4885DGAT1 393/4885HDAC6 2495/4885
US-20040014803-A1 Novel benzothiepines having activity as inhibitors of lleal bile acid transport and taurocholate uptake SLC10A1, SLC10A2, NR1H4 ELANE 1164/4885DGAT1 762/4885HDAC6 3110/4885

“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.