SCHEMBL212000

SCHEMBL212000

COC(=O)c1ccc(CC2SC(=O)NC2=O)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 12/20 0.62
MAPT P10636 3/20 0.60
MPC2 O95563 2/20 0.55
CYP2C8 P10632 2/20 0.55
CYP2C9 P11712 2/20 0.55
MAOA P21397 2/20 0.52
CISD1 Q9NZ45 2/20 0.52
ALDH1A1 P00352 2/20 0.52
NPSR1 Q6W5P4 1/20 0.52
FFAR1 O14842 1/20 0.52
PPARA Q07869 1/20 0.52
MEN1 O00255 2/20 0.52
HPGD P15428 2/20 0.52
KMT2A Q03164 2/20 0.52
KDM4E B2RXH2 1/20 0.52
HIF1A Q16665 1/20 0.52
CYP3A4 P08684 2/20 0.51
PTPN1 P18031 1/20 0.51
TP53 P04637 1/20 0.51
CYP1A2 P05177 1/20 0.51

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
SCHEMBL212178 0.92 PPARG (0.68) PPARGMAPTMPC2CYP2C8CYP2C9
SCHEMBL9371970 0.84 MAPT (0.65) PPARGMAPTMPC2CYP2C8CYP2C9
SCHEMBL9570559 0.83 MAPT (0.83) PPARGMAPTMAOACISD1ALDH1A1
SCHEMBL16491948 0.82 PPARG (0.59) PPARGMAPTMPC2CYP2C8CYP2C9
SCHEMBL210722 0.82 MAPT (0.67) PPARGMAPTMPC2CYP2C8CYP2C9
SCHEMBL3840336 0.81 FFAR1 (0.65) PPARGMAPTMPC2CYP2C8CYP2C9
SCHEMBL10447436 0.81 MAPT (0.65) PPARGMAPTMPC2CYP2C8CYP2C9
SCHEMBL6447702 0.80 ALDH1A1 (0.53) PPARGMAPTMPC2CYP2C8CYP2C9
SCHEMBL7455356 0.79 PTPN1 (0.63) PPARGMAPTMPC2CYP2C8CYP2C9
SCHEMBL5322829 0.79 FFAR1 (0.45) PPARGMPC2CYP2C8CYP2C9ALDH1A1

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088805-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2012-01-03 US disclosed
US-8088805-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2012-01-03 US disclosed
US-8088805-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2012-01-03 US disclosed
US-20070213330-A1 Anticancer agents; antiproliferative agents METHYLGENE INC. (CA) 2007-09-13 US disclosed
US-20070213330-A1 Anticancer agents; antiproliferative agents METHYLGENE INC. (CA) 2007-09-13 US disclosed
US-20070213330-A1 Anticancer agents; antiproliferative agents METHYLGENE INC. (CA) 2007-09-13 US disclosed
US-7253204-B2 Antiproliferative agents METHYLGENE INC. (CA) 2007-08-07 US disclosed
US-7253204-B2 Antiproliferative agents METHYLGENE INC. (CA) 2007-08-07 US disclosed
US-7253204-B2 Antiproliferative agents METHYLGENE INC. (CA) 2007-08-07 US disclosed
EP-1735319-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2006-12-27 EP disclosed
US-20050037997-A9 Materials and methods for the treatment of diabetes, hyperlipidemia, hypercholesterolemia, and atherosclerosis MPM ASSET MANAGEMENT INVESTORS 2002 BVIII LLC 2005-02-17 US disclosed
US-6768008-B2 FOR THERAPY ARYX THERAPEUTICS 2004-07-27 US disclosed
EP-1430039-A2 ARYL DERIVATIVES FOR THE TREATMENT OF DIABETES, HYPERLIPIDEMIA, HYPERCHOLESTEROLEMIA AND ATHEROSCLEROSIS Aryx Therapeutics (US) 2004-06-23 EP disclosed
US-6680387-B2 USING THIAZOLIDINONE COMPOUND ARYX THERAPEUTICS 2004-01-20 US disclosed
US-20030236227-A1 Materials and methods for the treatment of diabetes, hyperlipidemia, hypercholesterolemia, and atherosclerosis ARYX THERAPEUTICS 2003-12-25 US disclosed
US-20030064972-A1 Materials and methods for the treatment of diabetes, hyperlipidemia, hypercholesterolemia, and atherosclerosis MPM ASSET MANAGEMENT INVESTORS 2002 BVIII LLC 2003-04-03 US disclosed
WO-2003024943-A2 ARYL DERIVATIVES FOR THE TREATMENT OF DIABETES, HYPERLIPIDEMIA, HYPERCHOLESTEROLEMIA AND ATHEROSCLEROSIS ARYX THERAPEUTICS (US) 2003-03-27 WO disclosed
US-20030027798-A1 Materials and methods for the treatment of diabetes, hyperlipidemia, hypercholesterolemia, and atherosclerosis MPM ASSET MANAGEMENT INVESTORS 2002 BVIII LLC 2003-02-06 US disclosed
EP-1276730-A2 THIAZOLIDINEDIONE ANALOGUES AND THEIR USE FOR THE TREATMENT OF DIABETES ARYx Therapeutics (US) 2003-01-22 EP disclosed
WO-2001081328-A2 THIAZOLIDINEDIONE ANALOGUES AND THEIR USE FOR THE TREATMENT OF DIABETES ARYX THERAPEUTICS (US) 2001-11-01 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 (5 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-20030236227-A1 Materials and methods for the treatment of diabetes, hyperlipidemia, hypercholesterolemia, and atherosclerosis LIPA, LIPC, CETP PPARG 370/4885MAPT 2743/4885MPC2 641/4885
US-20070213330-A1 Anticancer agents; antiproliferative agents HDAC1, HDAC11, HDAC5 PPARG 1899/4885MAPT 3612/4885MPC2 3378/4885
US-20030064972-A1 Materials and methods for the treatment of diabetes, hyperlipidemia, hypercholesterolemia, and atherosclerosis LIPA, LIPC, CETP PPARG 370/4885MAPT 2743/4885MPC2 641/4885
US-20030027798-A1 Materials and methods for the treatment of diabetes, hyperlipidemia, hypercholesterolemia, and atherosclerosis LIPA, LIPC, CETP PPARG 370/4885MAPT 2743/4885MPC2 641/4885
US-20050037997-A9 Materials and methods for the treatment of diabetes, hyperlipidemia, hypercholesterolemia, and atherosclerosis LIPA, LIPC, CETP PPARG 370/4885MAPT 2743/4885MPC2 641/4885

“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.