SCHEMBL6204495

SCHEMBL6204495

CCCCCS(=O)(=O)OCCCC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 11/20 0.54
CA1 P00915 10/20 0.54
CA9 Q16790 8/20 0.52
CA12 O43570 3/20 0.50
CA7 P43166 3/20 0.50
CA14 Q9ULX7 3/20 0.50
CA3 P07451 2/20 0.50
CA4 P22748 2/20 0.50
CA6 P23280 2/20 0.50
CA5A P35218 2/20 0.50
CA5B Q9Y2D0 2/20 0.50
RECQL P46063 2/20 0.48
TSHR P16473 2/20 0.48
GLA P06280 1/20 0.48
HPGD P15428 1/20 0.48
MAPK1 P28482 1/20 0.48
EPHX2 P34913 1/20 0.48
BLM P54132 1/20 0.48
FAAH O00519 2/20 0.44
PRKCA P17252 1/20 0.41

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
SCHEMBL28625661 0.98 CA2 (0.54) CA2CA1CA9CA12CA7
SCHEMBL11135920 0.98 CA2 (0.54) CA2CA1CA9CA12CA7
SCHEMBL27887618 0.98 CA2 (0.52) CA2CA1CA9CA12CA7
SCHEMBL2375573 0.98 CA2 (0.54) CA2CA1CA9CA12CA7
SCHEMBL11138810 0.98 CA2 (0.54) CA2CA1CA9CA12CA7
SCHEMBL6824924 0.98 CA2 (0.54) CA2CA1CA9CA12CA7
Ammonia Solution, Strong SCHEMBL28166387 0.98 CA2 (0.52) CA2CA1CA9CA12CA7
SCHEMBL3802854 0.95 CA2 (0.58) CA2CA1CA9CA12CA7
SCHEMBL10773696 0.93 CA2 (0.59) CA2CA1CA9CA12CA7
SCHEMBL4270674 0.93 CA2 (0.59) CA2CA1CA9CA12CA7

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-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 claimed
EP-3125339-B1 NON-AQUEOUS ELECTROLYTE SECONDARY BATTERY NISSAN MOTOR (JP) 2019-03-13 EP disclosed
US-20080090972-A1 Oligomers and Polymers Containing Sulfinate Groups, and Methods for Producing the Same KERRES JOCHEN 2008-04-17 US disclosed
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
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-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
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
WO-2000001687-A9 BENZOTHIEPINES HAVING ACTIVITY AS INHIBITORS OF ILEAL BILE ACID TRANSPORT AND TAUROCHOLATE UPTAKE SEARLE & CO (US) 2000-07-20 WO 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
WO-2000001687-A1 BENZOTHIEPINES HAVING ACTIVITY AS INHIBITORS OF ILEAL BILE ACID TRANSPORT AND TAUROCHOLATE UPTAKE G.D. SEARLE & CO. (US) 2000-01-13 WO 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 CA2 3240/4885CA1 3937/4885CA9 3039/4885
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 CA2 909/4885CA1 1753/4885CA9 968/4885

“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.