SCHEMBL6204119

SCHEMBL6204119

COc1ccc(C(=O)c2ccccc2)c(S)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.69
LMNA P02545 5/20 0.69
HTT P42858 4/20 0.69
HPGD P15428 4/20 0.69
MAPK1 P28482 3/20 0.69
CYP1A2 P05177 3/20 0.69
PGR P06401 2/20 0.69
SLC6A2 P23975 2/20 0.69
CYP2C19 P33261 2/20 0.69
CYP2D6 P10635 1/20 0.69
PDE4A P27815 1/20 0.69
HRH1 P35367 1/20 0.69
SLC6A3 Q01959 1/20 0.69
PDE4D Q08499 1/20 0.69
SMN1; SMN2 Q16637 5/20 0.56
RAB9A P51151 3/20 0.56
KMT2A Q03164 3/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
POLB P06746 2/20 0.56
NPC1 O15118 3/20 0.55

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
SCHEMBL4436683 0.89 CES2 (0.57) ALDH1A1LMNAHTTHPGDMAPK1
SCHEMBL6203813 0.87 ALDH1A1 (0.65) ALDH1A1LMNAHTTHPGDMAPK1
SCHEMBL11575545 0.86 HTT (0.59) ALDH1A1LMNAHTTHPGDMAPK1
SCHEMBL2945284 0.82 CYP1A2 (0.71) ALDH1A1LMNAHTTHPGDMAPK1
SCHEMBL3224251 0.82 NPC1 (0.81) ALDH1A1LMNAHTTHPGDMAPK1
Oxybenzone SCHEMBL15551 0.82 HPGD (1.00) ALDH1A1LMNAHTTHPGDMAPK1
SCHEMBL699230 0.82 ALDH1A1 (0.71) ALDH1A1LMNAHTTHPGDMAPK1
Oxybenzone SCHEMBL6674080 0.82 HPGD (1.00) ALDH1A1LMNAHTTHPGDMAPK1
SCHEMBL3480945 0.82 ALDH1A1 (0.71) ALDH1A1LMNAHTTHPGDMAPK1
Oxybenzone SCHEMBL5161586 0.82 HPGD (1.00) ALDH1A1LMNAHTTHPGDMAPK1

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 38 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
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
US-5817652-A ATHEROSCLEROSIS GLAXO WELLCOME INC. (US) 1998-10-06 US 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
US-5723458-A 1,4-BENZOTHIAZEPINES GLAXO WELLCOME INC. (US) 1998-03-03 US 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
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
EP-0775126-A1 HYPOLIPIDEMIC 1,4-BENZOTHIAZEPINE-1,1-DIOXIDES THE WELLCOME FOUNDATION LIMITED (GB) 1997-05-28 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
WO-1996005188-A1 HYPOLIPIDEMIC 1,4-BENZOTHIAZEPINE-1,1-DIOXIDES THE WELLCOME FOUNDATION LIMITED (GB) 1996-02-22 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 ALDH1A1 4110/4885LMNA 3300/4885HTT 1111/4885
US-20040157915-A1 Combination therapy employing ileal bile acid transport inhibiting benzothiepines and HMG Co-A reductase inhibitors SLC10A2, SLC10A1, HMGCR ALDH1A1 2114/4885LMNA 1897/4885HTT 1988/4885
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 ALDH1A1 3185/4885LMNA 4622/4885HTT 1099/4885

“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.