SCHEMBL3313236

SCHEMBL3313236

CCc1ccc(CCOc2ccc(CC(Br)C(=O)O)cc2)nc1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARG P37231 9/20 0.58
CYP3A4 P08684 1/20 0.52
RXRA P19793 1/20 0.52
LMNA P02545 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PPARA Q07869 6/20 0.42
ITGB3 P05106 5/20 0.40
ITGAV P06756 5/20 0.40
ITGB1 P05556 4/20 0.40
ITGA5 P08648 4/20 0.40
PPARD Q03181 3/20 0.40
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
FFAR1 O14842 1/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL13743033 0.91 PPARG (0.53) PPARGCYP3A4RXRALMNAL3MBTL1
SCHEMBL20110590 0.88 PPARG (0.52) PPARGCYP3A4RXRALMNAL3MBTL1
SCHEMBL1201518 0.88 PPARG (0.54) PPARGCYP3A4RXRALMNAL3MBTL1
SCHEMBL4874828 0.86 PPARG (0.58) PPARGCYP3A4RXRALMNAL3MBTL1
Hydrochloric Acid SCHEMBL5738405 0.85 PPARG (0.57) PPARGCYP3A4RXRALMNAL3MBTL1
SCHEMBL2332479 0.84 PPARA (0.61) PPARGPPARAPPARD
SCHEMBL2361274 0.84 PPARA (0.61) PPARGPPARAPPARD
SCHEMBL2332774 0.84 PPARA (0.61) PPARGPPARAPPARD
SCHEMBL13475126 0.84 PPARG (0.69) PPARGCYP3A4RXRAPPARAITGB3
SCHEMBL1201520 0.83 PPARG (0.51) PPARGCYP3A4RXRALMNAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010084638-A1 METHOD FOR INHIBITING DEHYDROBROMINATION OF METHYL 2-BROMO-3-[4-[2-(5-ETHYL-2-PYRIDYL)ETHOXY]PHENYL]PROPIONATE 株式会社トクヤマ (JP) 2010-07-29 WO disclosed
WO-2010084638-A1 METHOD FOR INHIBITING DEHYDROBROMINATION OF METHYL 2-BROMO-3-[4-[2-(5-ETHYL-2-PYRIDYL)ETHOXY]PHENYL]PROPIONATE 株式会社トクヤマ (JP) 2010-07-29 WO disclosed
JP-2010126528-A METHOD FOR PRODUCING METHYL 2-BROMO-3-{4-[2-(5-ETHYL-2-PYRIDYL)ETHOXY]PHENYL}PROPIONATE TOKUYAMA CORP 2010-06-10 JP disclosed
WO-2010041538-A1 PROCESS FOR PRODUCING CARBONYLOXY COMPOUND 株式会社トクヤマ (JP) 2010-04-15 WO disclosed
EP-1623977-B1 INTERMEDIATE COMPOUND WHICH IS USED FOR THE PREPARATION OF PIOGLITAZONE MEDICHEM SA (ES) 2007-11-07 EP disclosed
EP-1387843-B1 METHOD FOR OBTAINING PIOGLITAZONE AS AN ANTIDIABETIC AGENT ZENTIVA AS (CZ) 2007-02-28 EP disclosed
US-7009057-B2 Method for obtaining pioglitazone as an antidiabetic agent ZENTIVA A.S. (CZ) 2006-03-07 US disclosed
EP-1622898-A1 PROCESSES FOR MAKING THIAZOLIDINEDIONE DERIVATIVES AND COMPOUNDS THEREOF Synthon B.V. (NL) 2006-02-08 EP disclosed
US-20050059708-A1 Processes for making thiazolidinedione derivatives and compounds thereof SYNTHON BV (NL) 2005-03-17 US disclosed
US-20050043360-A1 Method for obtaining pioglitazone as an antidiabetic agent LECIVA, A.S. (CZ) 2005-02-24 US disclosed
WO-2004101560-A1 PROCESSES FOR MAKING THIAZOLIDINEDIONE DERIVATIVES AND COMPOUNDS THEREOF SYNTHON B.V. (NL) 2004-11-25 WO disclosed
EP-1387843-A1 METHOD FOR OBTAINING PIOGLITAZONE AS AN ANTIDIABETIC AGENT Leciva, A.S. (CZ) 2004-02-11 EP disclosed
WO-2002088120-A1 METHOD FOR OBTAINING PIOGLITAZONE AS AN ANTIDIABETIC AGENT Léciva, a.s. (CZ) 2002-11-07 WO disclosed
EP-0193256-B1 THIAZOLIDINEDIONE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1989-04-05 EP 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-20050059708-A1 Processes for making thiazolidinedione derivatives and compounds thereof PPARD, PPARG, PPARA PPARG 2/4885CYP3A4 28/4885RXRA 265/4885
US-20050043360-A1 Method for obtaining pioglitazone as an antidiabetic agent GLP1R, INSR, CBR3 PPARG 6/4885CYP3A4 221/4885RXRA 61/4885

“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.