SCHEMBL6203147

SCHEMBL6203147

CCCCC(C=O)(CCCC)CS(=O)(=O)c1ccc(C)cc1Cc1ccc(F)cc1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RET P07949 1/20 0.33
MAPT P10636 1/20 0.33
KDR P35968 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
FFAR1 O14842 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
GPR55 Q9Y2T6 1/20 0.31
BCHE P06276 1/20 0.30
ACHE P22303 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL8892458 0.91 MAPT (0.32) RETMAPTKDRL3MBTL1FFAR1
SCHEMBL349616 0.80 DDR1 (0.34)
SCHEMBL6200639 0.77 RET (0.33) RETMAPTKDRGPR55KMT2A
SCHEMBL13620295 0.75 DDR1 (0.31)
SCHEMBL6202677 0.74 TBXA2R (0.40) MAPTL3MBTL1ACHEMEN1KMT2A
SCHEMBL30804969 0.73 CNR2 (0.34) L3MBTL1GPR55MEN1KMT2A
SCHEMBL12196411 0.73 CCR2 (0.36) MAPTGPR55
SCHEMBL12196413 0.73 CCR2 (0.36) MAPTGPR55
SCHEMBL6200633 0.73 MMP2 (0.38) MAPTL3MBTL1MEN1KMT2A
SCHEMBL6201097 0.72 CNR1 (0.38) GPR55

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 28 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
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
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-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-1091953-A1 NOVEL BENZOTHIEPINES HAVING ACTIVITY AS INHIBITORS OF ILEAL BILE ACID TRANSPORT AND TAUROCHOLATE UPTAKE G.D. Searle & Co. (US) 2001-04-18 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
WO-2000001687-A9 BENZOTHIEPINES HAVING ACTIVITY AS INHIBITORS OF ILEAL BILE ACID TRANSPORT AND TAUROCHOLATE UPTAKE SEARLE & CO (US) 2000-07-20 WO 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

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 RET 3042/4885MAPT 533/4885KDR 2727/4885
US-20040157915-A1 Combination therapy employing ileal bile acid transport inhibiting benzothiepines and HMG Co-A reductase inhibitors SLC10A2, SLC10A1, HMGCR RET 3739/4885MAPT 2759/4885KDR 2310/4885

“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.