SCHEMBL5622684

SCHEMBL5622684

Cc1oc(-c2ccccc2)nc1CCOc1ccc(C=C2SC(=O)NC2=O)c2sccc12

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PPARG P37231 19/20 0.56
PPARA Q07869 19/20 0.56
PPARD Q03181 5/20 0.56
KCNH2 Q12809 1/20 0.47

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
SCHEMBL5622683 1.00 PPARG (0.56) PPARGPPARAPPARDKCNH2
SCHEMBL7617150 0.91 PPARG (0.47) PPARGPPARAPPARD
SCHEMBL7618958 0.91 PPARG (0.47) PPARGPPARAPPARD
SCHEMBL6965423 0.90 PPARG (0.58) PPARGPPARAPPARD
SCHEMBL6965428 0.90 PPARG (0.58) PPARGPPARAPPARD
SCHEMBL6965649 0.90 HPGD (0.45) PPARGPPARAPPARD
SCHEMBL6965652 0.90 HPGD (0.45) PPARGPPARAPPARD
SCHEMBL6966781 0.89 PPARG (0.52) PPARGPPARAPPARDKCNH2
SCHEMBL6966778 0.89 PPARG (0.52) PPARGPPARAPPARDKCNH2
SCHEMBL5042459 0.84 PPARG (0.66) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7259176-B2 Process for the preparation of the insulin sensitizer HOFFMANN-LA ROCHE INC. (US) 2007-08-21 US disclosed
EP-1641790-A1 PROCESS FOR THE PREPARATION OF INSULIN SENSITIZER AND INTERMEDIATE COMPOUND THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2006-04-05 EP disclosed
WO-2005000844-A1 PROCESS FOR THE PREPARATION OF INSULIN SENSITIZER AND INTERMEDIATE COMPOUND THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2005-01-06 WO disclosed
US-20040267023-A1 Novel process for the preparation of the insulin sensitizer F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2004-12-30 US disclosed
EP-0970077-B1 IMPROVED METHOD FOR PRODUCING THIAZOLIDINEDIONES, AND NEW THIAZOLIDINEDIONES ROCHE DIAGNOSTICS GMBH (DE) 2003-05-14 EP disclosed
US-6441185-B2 REDUCTION OF AN UNSATURATED THIAZOLIDINE-2,4-DIONE DERIVATIVE WITH METALLIC ALUMINUM IN A PROTIC SOLVENT; PURITY; ANTIDIABETIC AGENTS ROCHE DIAGNOSTICS GMBH (DE) 2002-08-27 US disclosed
US-20010008902-A1 Method for producing thiazolidinediones, and new thiazolidinediones KUHNLE HANS-FRIEDER (DE) 2001-07-19 US disclosed
US-6258832-B1 REDUCTION OF COMPOUNDS WITH ALUMINUM IN APROTIC SOLVENT ROCHE DIAGNOSTICS GMBH (DE) 2001-07-10 US 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 (2 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-20010008902-A1 Method for producing thiazolidinediones, and new thiazolidinediones NR4A1, NR2C2, NR5A2 PPARG 39/4885PPARA 30/4885PPARD 22/4885
US-20040267023-A1 Novel process for the preparation of the insulin sensitizer GPR119, IRS1, INSR PPARG 700/4885PPARA 760/4885PPARD 928/4885

“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.