SCHEMBL5741327

SCHEMBL5741327

Cc1oc(-c2ccccc2)nc1CCOc1cccc2sccc12

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARG P37231 20/20 0.59
PPARA Q07869 19/20 0.59
PPARD Q03181 6/20 0.59

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
SCHEMBL13847872 0.85 PPARG (0.46) PPARGPPARAPPARD
SCHEMBL5758732 0.84 PPARG (0.60) PPARGPPARAPPARD
SCHEMBL5761790 0.83 PPARG (0.62) PPARGPPARAPPARD
SCHEMBL5741098 0.82 PPARG (0.66) PPARGPPARAPPARD
SCHEMBL5759675 0.81 PPARG (0.72) PPARGPPARAPPARD
SCHEMBL6432402 0.81 PPARG (0.72) PPARGPPARAPPARD
SCHEMBL5042459 0.80 PPARG (0.66) PPARGPPARAPPARD
SCHEMBL5761883 0.80 PPARG (0.68) PPARGPPARAPPARD
SCHEMBL5761277 0.79 PPARG (0.59) PPARGPPARAPPARD
SCHEMBL5760189 0.79 PPARG (0.56) PPARGPPARAPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1078923-B1 Process for the preparation of benzothiophene derivatives HOFFMANN LA ROCHE (CH) 2006-03-08 EP claimed
EP-1282619-B1 PROCESSES FOR THE PREPARATION OF THIAZOLIDINEDIONE DERIVATIVES AND INTERMEDIATES HOFFMANN LA ROCHE (CH) 2005-06-22 EP claimed
US-20040024222-A1 Process for the preparation of thiazolidinedione derivatives SCALONE MICHELANGELO (CH) 2004-02-05 US claimed
US-20030092916-A1 Process for the preparation of thiazolidinedione derivatives SCALONE MICHELANGELO (CH) 2003-05-15 US claimed
EP-1282619-A1 PROCESSES FOR THE PREPARATION OF THIAZOLIDINEDIONE DERIVATIVES AND INTERMEDIATES F. HOFFMANN-LA ROCHE AG (CH) 2003-02-12 EP claimed
US-6437144-B2 CYCLOCARBONYLATION HOFFMANN-LA ROCHE INC. 2002-08-20 US claimed
US-20020010345-A1 Methods for the preparation of 4-hydroxy benzothiophene JUNGHANS BERND (DE) 2002-01-24 US claimed
US-20010049445-A1 Process for the preparation of thiazolidinedione derivatives HOFFMANN-LA ROCHE INC. 2001-12-06 US claimed
WO-2001079202-A1 PROCESSES FOR THE PREPARATION OF THIAZOLIDINEDIONE DERIVATIVES AND INTERMEDIATES F. HOFFMANN-LA ROCHE AG (CH) 2001-10-25 WO claimed
EP-1078923-A2 Process for the preparation of benzothiophene derivatives F. HOFFMANN-LA ROCHE AG (CH) 2001-02-28 EP claimed
EP-1078923-B1 Process for the preparation of benzothiophene derivatives HOFFMANN LA ROCHE (CH) 2006-03-08 EP disclosed
EP-1282619-B1 PROCESSES FOR THE PREPARATION OF THIAZOLIDINEDIONE DERIVATIVES AND INTERMEDIATES HOFFMANN LA ROCHE (CH) 2005-06-22 EP disclosed
US-6753432-B2 BROMOMETHYLATION OR CHLOROMETHYLATION; CONDENSATION WITH PRIMARY AMIDE; DEESTERIFICATION, SULFONATION HOFFMANN-LA ROCHE INC. 2004-06-22 US disclosed
US-20040024222-A1 Process for the preparation of thiazolidinedione derivatives SCALONE MICHELANGELO (CH) 2004-02-05 US disclosed
US-6620941-B2 Bromination of ethyl 3-oxovalerate, condensing with benzamide, then reducing with diisobutylaluminum hydride and sulfonating to form 2-(5-Methyl-2- phenyl-4-oxazolyl)ethanomethanesulfonic ester, used as chemical intermediates HOFFMANN-LA ROCHE INC. 2003-09-16 US disclosed
US-6291685-B1 REACTING 1-(2-THIENYL)ALLYL DERIVATIVE IN SOLVENT MEDIUM CONTAINING BASE AND CARBOXYLIC ACID ANHYDRIDE WITH CARBON MONOXIDE IN PRESENCE OF CARBONYLATION CATALYST TO FORM ESTER COMPOUND; SAPONIFICATION TO FORM 4-HYDROXYBENZOTHIOPHENE HOFFMANN-LA ROCHE INC. 2001-09-18 US disclosed
EP-1078923-A2 Process for the preparation of benzothiophene derivatives F. HOFFMANN-LA ROCHE AG (CH) 2001-02-28 EP disclosed
US-5599826-A ANTIDIABETIC AGENT BOEHRINGER MANNHEIM GMBH (DE) 1997-02-04 US disclosed
EP-0700397-A1 NEW THIAZOLIDINDIONES AND DRUGS CONTAINING THEM Roche Diagnostics GmbH (DE) 1996-03-13 EP disclosed
WO-1994027995-A1 NEW THIAZOLIDINDIONES AND DRUGS CONTAINING THEM BOEHRINGER MANNHEIM GMBH (DE) 1994-12-08 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 (4 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-20030092916-A1 Process for the preparation of thiazolidinedione derivatives SLC5A2, CYP4B1, CYP4F3 PPARG 80/4885PPARA 182/4885PPARD 45/4885
US-20010049445-A1 Process for the preparation of thiazolidinedione derivatives SLC5A2, CYP4B1, CYP4F3 PPARG 80/4885PPARA 182/4885PPARD 45/4885
US-20040024222-A1 Process for the preparation of thiazolidinedione derivatives SLC5A2, CYP4B1, CYP4F3 PPARG 80/4885PPARA 182/4885PPARD 45/4885
US-20020010345-A1 Methods for the preparation of 4-hydroxy benzothiophene SLC5A2, TST, SLC5A1 PPARG 677/4885PPARA 1335/4885PPARD 1114/4885

“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.