SCHEMBL210722

SCHEMBL210722

O=C1NC(=O)C(Cc2ccc(C(=O)O)cc2)S1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.67
PPARG P37231 7/20 0.62
MAOA P21397 2/20 0.54
CISD1 Q9NZ45 2/20 0.54
ALDH1A1 P00352 2/20 0.54
NPSR1 Q6W5P4 1/20 0.54
FFAR1 O14842 4/20 0.53
PPARA Q07869 2/20 0.53
MAOB P27338 2/20 0.51
TSHR P16473 2/20 0.50
CA2 P00918 1/20 0.50
KDM4E B2RXH2 1/20 0.50
HTT P42858 1/20 0.50
MPC2 O95563 1/20 0.50
CYP2C8 P10632 1/20 0.50
CYP2C9 P11712 1/20 0.50
MEN1 O00255 1/20 0.49
TP53 P04637 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49

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
SCHEMBL210575 0.90 PPARG (0.68) MAPTPPARGALDH1A1FFAR1PPARA
SCHEMBL9570559 0.88 MAPT (0.83) MAPTPPARGMAOACISD1ALDH1A1
SCHEMBL9371970 0.86 MAPT (0.65) MAPTPPARGMAOACISD1ALDH1A1
SCHEMBL10447436 0.86 MAPT (0.65) MAPTPPARGMAOACISD1ALDH1A1
SCHEMBL290413 0.83 MAPT (0.75) MAPTPPARGMAOACISD1ALDH1A1
SCHEMBL166570 0.83 PPARG (0.74) MAPTPPARGMAOACISD1ALDH1A1
SCHEMBL212000 0.82 PPARG (0.62) MAPTPPARGMAOACISD1ALDH1A1
Glitazone SCHEMBL623021 0.81 MAPT (0.73) MAPTPPARGMAOACISD1ALDH1A1
SCHEMBL6866703 0.81 PPARG (0.71) MAPTPPARGMAOACISD1ALDH1A1
SCHEMBL9377291 0.81 PPARG (0.63) MAPTPPARGFFAR1PPARAMAOB

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 MAPT 2743/4885PPARG 370/4885MAOA 1078/4885
US-20070213330-A1 Anticancer agents; antiproliferative agents HDAC1, HDAC11, HDAC5 MAPT 3612/4885PPARG 1899/4885MAOA 2116/4885
US-20030064972-A1 Materials and methods for the treatment of diabetes, hyperlipidemia, hypercholesterolemia, and atherosclerosis LIPA, LIPC, CETP MAPT 2743/4885PPARG 370/4885MAOA 1078/4885
US-20030027798-A1 Materials and methods for the treatment of diabetes, hyperlipidemia, hypercholesterolemia, and atherosclerosis LIPA, LIPC, CETP MAPT 2743/4885PPARG 370/4885MAOA 1078/4885
US-20050037997-A9 Materials and methods for the treatment of diabetes, hyperlipidemia, hypercholesterolemia, and atherosclerosis LIPA, LIPC, CETP MAPT 2743/4885PPARG 370/4885MAOA 1078/4885

“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.