SCHEMBL6198484

SCHEMBL6198484

CCOC(C)OCC.O=[N+]([O-])S[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.55
TSHR P16473 1/20 0.32
THRB P10828 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL2967255 0.74
SCHEMBL2094168 0.74 LMNA (1.00) LMNATHRB
SCHEMBL9459 0.74
Formaldehyde SCHEMBL209588 0.72 LMNA (0.80) LMNATHRB
SCHEMBL3453066 0.71
Hydrogen Sulfide SCHEMBL3719386 0.71
SCHEMBL2354348 0.71
SCHEMBL9518993 0.71
SCHEMBL10435620 0.71
SCHEMBL5105333 0.71

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 LMNA 4119/4885TSHR 2135/4885THRB 2859/4885
US-20020032329-A1 Method for the preparation of tetrahydrobenzothiepines TMT1A, THOP1, BBOX1 LMNA 3289/4885TSHR 1257/4885THRB 1182/4885
US-20050090543-A1 Method for the preparation of tetrahydrobenzothiepines TMT1A, THOP1, BBOX1 LMNA 3289/4885TSHR 1257/4885THRB 1182/4885
US-20030236406-A1 Method for the preparation of tetrahydrobenzothiepines TMT1A, THOP1, BBOX1 LMNA 3268/4885TSHR 1257/4885THRB 1231/4885
US-20040082647-A1 Method for the preparation of tetrahydrobenzothiepines TMT1A, THOP1, BBOX1 LMNA 3289/4885TSHR 1257/4885THRB 1182/4885

“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.