SCHEMBL5759675

SCHEMBL5759675

Cc1oc(-c2ccccc2)nc1CCOc1ccc(CBr)c2sccc12

nearest known ligand 0.72

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARG P37231 20/20 0.72
PPARA Q07869 20/20 0.72
PPARD Q03181 6/20 0.72

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
SCHEMBL6432402 0.90 PPARG (0.72) PPARGPPARAPPARD
SCHEMBL2815935 0.89 PPARG (0.81) PPARGPPARAPPARD
SCHEMBL19711226 0.88 PPARG (0.74) PPARGPPARAPPARD
SCHEMBL5741503 0.86 PPARG (0.70) PPARGPPARAPPARD
SCHEMBL5741098 0.86 PPARG (0.66) PPARGPPARAPPARD
SCHEMBL5757412 0.86 PPARG (0.69) PPARGPPARAPPARD
SCHEMBL13847871 0.85 PPARG (0.57) PPARGPPARAPPARD
SCHEMBL7596438 0.85 PPARG (0.65) PPARGPPARAPPARD
SCHEMBL5760889 0.84 PPARG (0.85) PPARGPPARAPPARD
SCHEMBL5762025 0.84 PPARG (0.85) 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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-1392295-B1 CARBOXYLIC ACID SUBSTITUTED OXAZOLE DERIVATIVES FOR USE AS PPAR-ALPHA AND -GAMMA ACTIVATORS IN THE TREATMENT OF DIABETES HOFFMANN LA ROCHE (CH) 2006-05-31 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
EP-1392295-A1 CARBOXYLIC ACID SUBSTITUTED OXAZOLE DERIVATIVES FOR USE AS PPAR-ALPHA AND -GAMMA ACTIVATORS IN THE TREATMENT OF DIABETES F. Hoffmann-La Roche AG (CH) 2004-03-03 EP disclosed
US-20040024222-A1 Process for the preparation of thiazolidinedione derivatives SCALONE MICHELANGELO (CH) 2004-02-05 US disclosed
US-6642389-B2 For therapy of diabetes HOFFMANN-LA ROCHE INC. 2003-11-04 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-20030092916-A1 Process for the preparation of thiazolidinedione derivatives SCALONE MICHELANGELO (CH) 2003-05-15 US disclosed
US-20030055265-A1 Oxazole derivatives HOFFMANN-LA ROCHE INC. 2003-03-20 US disclosed
US-6531609-B2 Bromomethylation or chloromethylation of a 1-benzothiophene-4-oxyethyl-oxazole derivative to from intermediate, reacting the intermediate with 2,4-thiazolidinedione HOFFMANN-LA ROCHE INC. 2003-03-11 US disclosed
EP-1282619-A1 PROCESSES FOR THE PREPARATION OF THIAZOLIDINEDIONE DERIVATIVES AND INTERMEDIATES F. HOFFMANN-LA ROCHE AG (CH) 2003-02-12 EP disclosed
WO-2002092084-A1 CARBOXYLIC ACID SUBSTITUTED OXAZOLE DERIVATIVES FOR USE AS PPAR-ALPHA AND -GAMMA ACTIVATORS IN THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2002-11-21 WO disclosed
US-20010049445-A1 Process for the preparation of thiazolidinedione derivatives HOFFMANN-LA ROCHE INC. 2001-12-06 US disclosed
WO-2001079202-A1 PROCESSES FOR THE PREPARATION OF THIAZOLIDINEDIONE DERIVATIVES AND INTERMEDIATES F. HOFFMANN-LA ROCHE AG (CH) 2001-10-25 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-20030055265-A1 Oxazole derivatives PPARD, PPARA, PPARG PPARG 3/4885PPARA 2/4885PPARD 1/4885

“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.