SCHEMBL6200982

SCHEMBL6200982

O=S1(=O)CCC(O)C(c2ccccc2)c2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC10A2 Q12908 16/20 0.47
EDNRA P25101 1/20 0.39
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ADRA1D P25100 1/20 0.34

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
SCHEMBL6223726 0.73 ESR2 (0.34) SLC10A2MEN1KMT2A
SCHEMBL6829335 0.73 SLC10A2 (0.51) SLC10A2
SCHEMBL6310208 0.73 SLC10A2 (0.57) SLC10A2
SCHEMBL6826977 0.73 SLC10A2 (0.57) SLC10A2
SCHEMBL6428958 0.73 SLC10A2 (0.57) SLC10A2
SCHEMBL6220918 0.73 SLC10A2 (0.51) SLC10A2
SCHEMBL6222848 0.73 SLC10A2 (0.57) SLC10A2
SCHEMBL6220914 0.73 SLC10A2 (0.51) SLC10A2
SCHEMBL6310213 0.73 SLC10A2 (0.57) SLC10A2
SCHEMBL1847062 0.72 ALDH1A1 (0.38) SLC10A2EDNRAMEN1KMT2AADRA1D

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1425279-A4 METHOD FOR THE PREPARATION OF CRYSTALLINE TETRAHYDROBENZOTHIEPINES SEARLE LLC (US) 2005-10-26 EP disclosed
US-20050090543-A1 Method for the preparation of tetrahydrobenzothiepines PHARMACIA CORPORATION (US) 2005-04-28 US disclosed
US-6794544-B2 APICAL SODIUM CO- DEPENDENT BILE ACID TRANSPORTER (ASBT) INHIBITORS PHARMACIA CORPORATION 2004-09-21 US disclosed
EP-1425279-A2 METHOD FOR THE PREPARATION OF CRYSTALLINE TETRAHYDROBENZOTHIEPINES G.D. Searle LLC (US) 2004-06-09 EP disclosed
US-20040082647-A1 Method for the preparation of tetrahydrobenzothiepines G.D. SEARLE, LLC 2004-04-29 US disclosed
US-20030236406-A1 Method for the preparation of tetrahydrobenzothiepines BABIAK KEVIN A (US) 2003-12-25 US disclosed
WO-2003022804-A9 METHOD FOR THE PREPARATION OF CRYSTALLINE TETRAHYDROBENZOTHIEPINES SEARLE LLC (US) 2003-12-18 WO disclosed
US-20030199515-A1 Method for the preparation of crystalline tetrahydrobenzothiepines G.D. SEARLE, LLC (US) 2003-10-23 US disclosed
US-6586434-B2 Method for the preparation of tetrahydrobenzothiepines G.D. SEARLE, LLC 2003-07-01 US disclosed
WO-2003022804-A2 METHOD FOR THE PREPARATION OF CRYSTALLINE TETRAHYDROBENZOTHIEPINES G.D. SEARLE LLC (US) 2003-03-20 WO disclosed
EP-1286984-A2 METHOD FOR THE PREPARATION OF TETRAHYDROBENZOTHIEPINES Pharmacia Corporation (US) 2003-03-05 EP disclosed
US-20020032329-A1 Method for the preparation of tetrahydrobenzothiepines G.D. SEARLE LLC 2002-03-14 US disclosed
WO-2001068637-A2 METHOD FOR THE PREPARATION OF TETRAHYDROBENZOTHIEPINES PHARMACIA CORPORATION (US) 2001-09-20 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-20030199515-A1 Method for the preparation of crystalline tetrahydrobenzothiepines TPMT, MPST, SULT1A1 SLC10A2 373/4885EDNRA 3775/4885MEN1 3859/4885
US-20020032329-A1 Method for the preparation of tetrahydrobenzothiepines TMT1A, THOP1, BBOX1 SLC10A2 4044/4885EDNRA 3844/4885MEN1 1887/4885
US-20050090543-A1 Method for the preparation of tetrahydrobenzothiepines TMT1A, THOP1, BBOX1 SLC10A2 4044/4885EDNRA 3844/4885MEN1 1887/4885
US-20030236406-A1 Method for the preparation of tetrahydrobenzothiepines TMT1A, THOP1, BBOX1 SLC10A2 4031/4885EDNRA 3871/4885MEN1 1818/4885
US-20040082647-A1 Method for the preparation of tetrahydrobenzothiepines TMT1A, THOP1, BBOX1 SLC10A2 4044/4885EDNRA 3844/4885MEN1 1887/4885

“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.