SCHEMBL5884045

SCHEMBL5884045

COc1cc(N(C)CCOc2ccc(CC3SC(=O)NC3=O)cc2)ncn1

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 16/20 0.86
PPARA Q07869 3/20 0.86
RXRA P19793 2/20 0.60
RARG P13631 1/20 0.60
MPC2 O95563 1/20 0.50
CYP2C8 P10632 1/20 0.50
CYP2C9 P11712 1/20 0.50
FFAR1 O14842 3/20 0.48
CYP3A4 P08684 2/20 0.48
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
TP53 P04637 1/20 0.47
CYP1A2 P05177 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
KMT2A Q03164 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TDP1 Q9NUW8 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
Lobeglitazone SCHEMBL20125583 0.93 PPARG (1.00) PPARGPPARARXRARARGMPC2
Lobeglitazone SCHEMBL2742697 0.93 PPARG (1.00) PPARGPPARARXRARARGMPC2
Lobeglitazone SCHEMBL29356140 0.93 PPARG (1.00) PPARGPPARARXRARARGMPC2
Lobeglitazone SCHEMBL20125580 0.93 PPARG (1.00) PPARGPPARARXRARARGMPC2
Lobeglitazone SCHEMBL29778221 0.90 PPARG (1.00) PPARGPPARARXRARARGMPC2
SCHEMBL5883617 0.89 PPARG (0.75) PPARGPPARARXRARARGFFAR1
SCHEMBL5884168 0.88 PPARG (0.74) PPARGPPARARXRARARGFFAR1
SCHEMBL5883649 0.87 PPARG (0.73) PPARGPPARARXRARARGFFAR1
SCHEMBL5883494 0.87 PPARG (0.69) PPARGPPARARXRARARGMPC2
SCHEMBL5884246 0.86 PPARG (0.68) PPARGPPARARXRARARGMPC2

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-7001910-B1 Thiazolidinedione derivatives as antidiabetic agents VITA-INVEST S.A. (ES) 2006-02-21 US claimed
US-20040106632-A1 Salt of thiazolidinedione and its polymorphs as antidiabetic agents and method for obtaining them LABORATORIOS VITA, S.A. (ES) 2004-06-03 US claimed
EP-1355908-A1 NEW SALT OF THIAZOLIDINEDIONE AND ITS POLYMORPHS AS ANTIDIABETIC AGENTS AND METHOD FOR OBTAINING THEM LABORATORIOS VITA, S.A. (ES) 2003-10-29 EP claimed
EP-1231211-B1 THIAZOLIDINEDIONE DERIVATIVES AS ANTIDIABETIC AGENTS VITA INVEST SA (ES) 2003-05-28 EP claimed
EP-1231211-A1 THIAZOLIDINEDIONE DERIVATIVES AS ANTIDIABETIC AGENTS VITA-INVEST, S.A. (ES) 2002-08-14 EP claimed
WO-2002060899-A1 NEW SALT OF THIAZOLIDINEDIONE AND ITS POLYMORPHS AS ANTIDIABETIC AGENTS AND METHOD FOR OBTAINING THEM LABORATORIOS VITA, S.A. (ES) 2002-08-08 WO claimed
US-7001910-B1 Thiazolidinedione derivatives as antidiabetic agents VITA-INVEST S.A. (ES) 2006-02-21 US disclosed
US-20040106632-A1 Salt of thiazolidinedione and its polymorphs as antidiabetic agents and method for obtaining them LABORATORIOS VITA, S.A. (ES) 2004-06-03 US disclosed
EP-1355908-A1 NEW SALT OF THIAZOLIDINEDIONE AND ITS POLYMORPHS AS ANTIDIABETIC AGENTS AND METHOD FOR OBTAINING THEM LABORATORIOS VITA, S.A. (ES) 2003-10-29 EP disclosed
EP-1231211-B1 THIAZOLIDINEDIONE DERIVATIVES AS ANTIDIABETIC AGENTS VITA INVEST SA (ES) 2003-05-28 EP disclosed
EP-1231211-A1 THIAZOLIDINEDIONE DERIVATIVES AS ANTIDIABETIC AGENTS VITA-INVEST, S.A. (ES) 2002-08-14 EP disclosed
WO-2002060899-A1 NEW SALT OF THIAZOLIDINEDIONE AND ITS POLYMORPHS AS ANTIDIABETIC AGENTS AND METHOD FOR OBTAINING THEM LABORATORIOS VITA, S.A. (ES) 2002-08-08 WO disclosed