SCHEMBL407166

SCHEMBL407166

O=S1(=O)CCCCc2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.48
GPR3 P46089 1/20 0.38
BCL2L1 Q07817 1/20 0.36
BAD Q92934 1/20 0.36
CYP2A6 P11509 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
LMNA P02545 1/20 0.36
CYP2C9 P11712 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
GALR1 P47211 2/20 0.35
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
KDM1A O60341 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL31655439 0.94 TSHR (0.44) TSHRGPR3CYP2A6MAOAMAOB
SCHEMBL255956 0.94 TSHR (0.44) TSHRGPR3CYP2A6MAOAMAOB
Methane SCHEMBL10428157 0.92 TSHR (0.42) TSHRCYP2A6MAOAMAOBCA1
Cyclopropane SCHEMBL2363143 0.92 TSHR (0.42) TSHRCYP2A6MAOAMAOBCA1
Cyclopropane SCHEMBL2363620 0.90 TSHR (0.41) TSHRCYP2A6MAOAMAOBCA1
SCHEMBL30533792 0.85 CA1 (0.47) TSHRGPR3CYP2A6CA1CA2
SCHEMBL61667 0.85 CA1 (0.47) TSHRGPR3CYP2A6CA1CA2
Methoxymethane SCHEMBL10859333 0.78 CA2 (0.42) GPR3MAOAMAOBCA1CA2
SCHEMBL9455245 0.76 TSHR (0.62) TSHRBCL2L1BADCYP2A6MAOA
SCHEMBL3494049 0.72 TSHR (0.50) TSHRBCL2L1BADCYP2A6MAOA

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 373 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1331225-A1 Method of preparing enantiomerically-enriched tetrahydrobenzothiepine oxides G.D. SEARLE & CO. (US) 2003-07-30 EP claimed
EP-1042314-B1 METHOD OF PREPARING ENANTIOMERICALLY-ENRICHED TETRAHYDROBENZOTHIEPINE OXIDES SEARLE & CO (US) 2003-03-19 EP claimed
US-20020188119-A1 Method of preparing enantiomerically-enriched tetrahydrobenzothiepine oxides LI JINGLIN (US) 2002-12-12 US claimed
EP-1042314-A1 METHOD OF PREPARING ENANTIOMERICALLY-ENRICHED TETRAHYDROBENZOTHIEPINE OXIDES G.D. SEARLE & CO. (US) 2000-10-11 EP claimed
WO-1999032478-A1 METHOD OF PREPARING ENANTIOMERICALLY-ENRICHED TETRAHYDROBENZOTHIEPINE OXIDES G.D. SEARLE & CO. (US) 1999-07-01 WO claimed
EP-3266457-B1 BILE ACID RECYCLING INHIBITORS FOR TREATMENT OF PEDIATRIC CHOLESTATIC LIVER DISEASES SHIRE HUMAN GENETIC THERAPIES (US) 2026-05-06 EP disclosed
EP-4424363-B1 METHODS FOR INCREASING GROWTH IN PEDIATRIC SUBJECTS HAVING CHOLESTATIC LIVER DISEASE MIRUM PHARMACEUTICALS INC (US) 2026-04-29 EP disclosed
US-12599602-B2 Methods for treating cholestasis MIRUM PHARMACEUTICALS, INC. 2026-04-14 US disclosed
EP-4712959-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING 2,3,4,5-TETRAHYDRO-BENZOTHIEPIN-1,1-DIOXIDE DERIVATIVES AND THE USE THEREOF Mirum Pharmaceuticals, Inc. (US) 2026-03-25 EP disclosed
EP-4712959-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING 2,3,4,5-TETRAHYDRO-BENZOTHIEPIN-1,1-DIOXIDE DERIVATIVES AND THE USE THEREOF Mirum Pharmaceuticals, Inc. (US) 2026-03-25 EP disclosed
EP-4712959-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING 2,3,4,5-TETRAHYDRO-BENZOTHIEPIN-1,1-DIOXIDE DERIVATIVES AND THE USE THEREOF Mirum Pharmaceuticals, Inc. (US) 2026-03-25 EP disclosed
US-12576079-B2 Methods for treating cholestasis MIRUM PHARMACEUTICALS, INC. 2026-03-17 US 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
WO-1999032478-A1 METHOD OF PREPARING ENANTIOMERICALLY-ENRICHED TETRAHYDROBENZOTHIEPINE OXIDES G.D. SEARLE & CO. (US) 1999-07-01 WO 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 (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-12599602-B2 Methods for treating cholestasis SLC10A1, SLC10A2, SLC10A6 TSHR 3834/4885GPR3 2485/4885BCL2L1 3770/4885
US-20020188119-A1 Method of preparing enantiomerically-enriched tetrahydrobenzothiepine oxides TST, THOP1, TH TSHR 1463/4885GPR3 2193/4885BCL2L1 3986/4885
US-12576079-B2 Methods for treating cholestasis SLC10A1, SLC10A2, SLC10A6 TSHR 1651/4885GPR3 3171/4885BCL2L1 1708/4885

“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.