SCHEMBL4874828

SCHEMBL4874828

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

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.58
ITGB3 P05106 5/20 0.55
ITGA2B P08514 2/20 0.55
CYP3A4 P08684 1/20 0.52
RXRA P19793 1/20 0.52
PTPN1 P18031 1/20 0.44
SLC7A5 Q01650 2/20 0.43
ITGB1 P05556 3/20 0.42
ITGA5 P08648 3/20 0.42
ITGAV P06756 3/20 0.42
ALPI P09923 1/20 0.42
PKM P14618 1/20 0.42
PTGS1 P23219 1/20 0.42
XIAP P98170 1/20 0.42
LMNA P02545 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PPARA Q07869 1/20 0.42
TPH1 P17752 1/20 0.42

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
Hydrochloric Acid SCHEMBL5738405 0.99 PPARG (0.57) PPARGITGB3ITGA2BCYP3A4RXRA
SCHEMBL14381253 0.88 PPARG (0.54) PPARGITGB3ITGA2BCYP3A4RXRA
SCHEMBL3313236 0.86 PPARG (0.58) PPARGITGB3CYP3A4RXRAITGB1
SCHEMBL13742843 0.84 PPARG (0.54) PPARGITGB3CYP3A4RXRAITGB1
SCHEMBL5738702 0.84 PPARG (0.65) PPARGITGB3ITGA2BCYP3A4RXRA
SCHEMBL2361274 0.84 PPARA (0.61) PPARGPPARA
SCHEMBL2332479 0.84 PPARA (0.61) PPARGPPARA
SCHEMBL13475126 0.84 PPARG (0.69) PPARGITGB3ITGA2BCYP3A4RXRA
SCHEMBL2332774 0.84 PPARA (0.61) PPARGPPARA
SCHEMBL14213074 0.84 PPARG (0.52) PPARGCYP3A4RXRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7375231-B2 Intermediate compound which is used for the preparation of pioglitazone MEDICHEM S.A. (ES) 2008-05-20 US disclosed
US-7375231-B2 Intermediate compound which is used for the preparation of pioglitazone MEDICHEM S.A. (ES) 2008-05-20 US disclosed
US-7375231-B2 Intermediate compound which is used for the preparation of pioglitazone MEDICHEM S.A. (ES) 2008-05-20 US disclosed
EP-1623977-B1 INTERMEDIATE COMPOUND WHICH IS USED FOR THE PREPARATION OF PIOGLITAZONE MEDICHEM SA (ES) 2007-11-07 EP disclosed
EP-1623977-B1 INTERMEDIATE COMPOUND WHICH IS USED FOR THE PREPARATION OF PIOGLITAZONE MEDICHEM SA (ES) 2007-11-07 EP disclosed
US-20070083050-A1 Intermediate compound which is used for the preparation of pioglitazone MEDICHEM, S.A. (ES) 2007-04-12 US disclosed
US-20070083050-A1 Intermediate compound which is used for the preparation of pioglitazone MEDICHEM, S.A. (ES) 2007-04-12 US disclosed
US-20070083050-A1 Intermediate compound which is used for the preparation of pioglitazone MEDICHEM, S.A. (ES) 2007-04-12 US disclosed
EP-1622898-A1 PROCESSES FOR MAKING THIAZOLIDINEDIONE DERIVATIVES AND COMPOUNDS THEREOF Synthon B.V. (NL) 2006-02-08 EP disclosed
EP-1623977-A1 INTERMEDIATE COMPOUND WHICH IS USED FOR THE PREPARATION OF PIOGLITAZONE Medichem, S.A. (ES) 2006-02-08 EP disclosed
US-20050059708-A1 Processes for making thiazolidinedione derivatives and compounds thereof SYNTHON BV (NL) 2005-03-17 US disclosed
WO-2004101560-A1 PROCESSES FOR MAKING THIAZOLIDINEDIONE DERIVATIVES AND COMPOUNDS THEREOF SYNTHON B.V. (NL) 2004-11-25 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 (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-20070083050-A1 Intermediate compound which is used for the preparation of pioglitazone GLP1R, JAK2, GPR119 PPARG 28/4885ITGB3 2374/4885ITGA2B 1775/4885
US-20050059708-A1 Processes for making thiazolidinedione derivatives and compounds thereof PPARD, PPARG, PPARA PPARG 2/4885ITGB3 2321/4885ITGA2B 3532/4885

“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.