SCHEMBL211435

SCHEMBL211435

COC(=O)c1ccc(C=C2SC(=O)NC2=O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 6/20 1.00
TDP1 Q9NUW8 3/20 0.77
PIM2 Q9P1W9 5/20 0.63
AKR1B1 P15121 2/20 0.63
RAB9A P51151 2/20 0.63
NPC1 O15118 1/20 0.63
HPGD P15428 4/20 0.63
ESRRA P11474 4/20 0.63
CYP3A4 P08684 2/20 0.63
GSK3B P49841 3/20 0.59
IGF1R P08069 1/20 0.59
PIK3CA P42336 1/20 0.59
PIK3CG P48736 1/20 0.59
PTPN1 P18031 1/20 0.58
PIM3 Q86V86 2/20 0.57
PDE4B Q07343 1/20 0.57
CDC7 O00311 1/20 0.57
DAPK3 O43293 1/20 0.57
DYRK3 O43781 1/20 0.57
MAP4K4 O95819 1/20 0.57

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
SCHEMBL5672818 1.00 PIM1 (1.00) PIM1TDP1PIM2AKR1B1RAB9A
SCHEMBL211434 1.00 PIM1 (1.00) PIM1TDP1PIM2AKR1B1RAB9A
SCHEMBL2733862 0.90 PIM1 (0.81) PIM1TDP1PIM2AKR1B1RAB9A
SCHEMBL15708765 0.89 PIM1 (0.80) PIM1TDP1RAB9ANPC1PDE4B
SCHEMBL8187551 0.87 TDP1 (1.00) PIM1TDP1RAB9AHPGD
SCHEMBL8187548 0.87 TDP1 (1.00) PIM1TDP1RAB9AHPGD
SCHEMBL5672827 0.84 PIM1 (0.72) PIM1TDP1RAB9ANPC1HPGD
SCHEMBL9372392 0.83 PIM1 (0.70) PIM1TDP1PIM2AKR1B1RAB9A
SCHEMBL9372387 0.83 PIM1 (0.70) PIM1TDP1PIM2AKR1B1RAB9A
SCHEMBL6734824 0.81 HSPD1 (0.82) PIM1IGF1RPIK3CAPIK3CG

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 20 patents. 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-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
EP-1735319-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2006-12-27 EP disclosed
US-7022722-B2 Materials and methods for the treatment of diabetes, hyperlipidemia, hypercholesterolemia, and atherosclerosis ARYX THERAPEUTICS, INC. (US) 2006-04-04 US disclosed
US-20060047000-A1 Materials and methods for the treatment of diabetes, hyperlipidemia, hypercholesterolemia, and atherosclerosis ARYX THERAPEUTICS, INC. (US) 2006-03-02 US disclosed
US-20050245518-A1 Antiproliferative agents METHYLGENE, INC. 2005-11-03 US disclosed
US-6958355-B2 Materials and methods for the treatment of diabetes, hyperlipidemia, hypercholesterolemia, and atherosclerosis ARYX THERAPEUTICS, INC. (US) 2005-10-25 US disclosed
WO-2005092899-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2005-10-06 WO disclosed
US-20050075379-A1 Materials and methods for the treatment of diabetes, hyperlipidemia, hypercholesterolemia, and atherosclerosis MPM ASSET MANAGEMENT INVESTORS 2002 BVIII LLC 2005-04-07 US 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 (8 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 PIM1 2013/4885TDP1 1800/4885PIM2 1479/4885
US-20070213330-A1 Anticancer agents; antiproliferative agents HDAC1, HDAC11, HDAC5 PIM1 2009/4885TDP1 701/4885PIM2 2680/4885
US-20030064972-A1 Materials and methods for the treatment of diabetes, hyperlipidemia, hypercholesterolemia, and atherosclerosis LIPA, LIPC, CETP PIM1 2013/4885TDP1 1800/4885PIM2 1479/4885
US-20060047000-A1 Materials and methods for the treatment of diabetes, hyperlipidemia, hypercholesterolemia, and atherosclerosis LIPA, LIPC, CETP PIM1 2013/4885TDP1 1800/4885PIM2 1479/4885
US-20050245518-A1 Antiproliferative agents HDAC1, HDAC11, HDAC5 PIM1 2462/4885TDP1 669/4885PIM2 3102/4885
US-20030027798-A1 Materials and methods for the treatment of diabetes, hyperlipidemia, hypercholesterolemia, and atherosclerosis LIPA, LIPC, CETP PIM1 2013/4885TDP1 1800/4885PIM2 1479/4885
US-20050037997-A9 Materials and methods for the treatment of diabetes, hyperlipidemia, hypercholesterolemia, and atherosclerosis LIPA, LIPC, CETP PIM1 2013/4885TDP1 1800/4885PIM2 1479/4885
US-20050075379-A1 Materials and methods for the treatment of diabetes, hyperlipidemia, hypercholesterolemia, and atherosclerosis LIPA, LIPC, CETP PIM1 2013/4885TDP1 1800/4885PIM2 1479/4885

“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.