SCHEMBL5673271

SCHEMBL5673271

CC(=O)NC(CC(=O)OCc1ccccc1)C(C)=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.53
MMP9 P14780 1/20 0.53
ALDH1A1 P00352 4/20 0.53
MEN1 O00255 1/20 0.53
HPGD P15428 1/20 0.53
KMT2A Q03164 1/20 0.53
MAPK1 P28482 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
ALOX15 P16050 1/20 0.48
SLC15A1 P46059 2/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA3 P07451 1/20 0.48
CA4 P22748 1/20 0.48
CA6 P23280 1/20 0.48
CA5A P35218 1/20 0.48
CA7 P43166 1/20 0.48
CACNA1C Q13936 1/20 0.48
SCN9A Q15858 1/20 0.48

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
SCHEMBL27895748 0.91 TACR1 (0.53) TACR1MMP9ALDH1A1MEN1HPGD
SCHEMBL13788325 0.90 ALDH1A1 (0.60) TACR1MMP9ALDH1A1ALOX15CASP1
SCHEMBL15996601 0.89 ALDH1A1 (0.55) MMP9ALDH1A1MAPK1L3MBTL1ALOX15
SCHEMBL890103 0.89 ALDH1A1 (0.55) MMP9ALDH1A1MAPK1L3MBTL1ALOX15
SCHEMBL25491992 0.84 TACR1 (0.59) TACR1MMP9ALDH1A1MEN1HPGD
SCHEMBL25491998 0.84 TACR1 (0.59) TACR1MMP9ALDH1A1MEN1HPGD
SCHEMBL3540630 0.84 RAB9A (0.54) TACR1MMP9ALDH1A1MEN1HPGD
SCHEMBL3537933 0.84 GPR132 (0.51) TACR1MMP9ALDH1A1
SCHEMBL16668017 0.82 ALDH1A1 (0.57) TACR1MMP9ALDH1A1ALOX15
Hydrochloric Acid SCHEMBL6940522 0.81 SLC15A1 (0.53) TACR1MMP9ALDH1A1MEN1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-6958355-B2 Materials and methods for the treatment of diabetes, hyperlipidemia, hypercholesterolemia, and atherosclerosis ARYX THERAPEUTICS, INC. (US) 2005-10-25 US 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
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
US-6160124-A Method for treating or preventing arteriosclerosis JAPAN TOBACCO INC. (JP) 2000-12-12 US disclosed
US-6057343-A HAVE SUPERIOR HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIONS AND ARE USEFUL FOR THE TREATMENT OF DIABETES AND THE COMPLICATIONS THEREOF, AS WELL AS THERAPEUTIC AGENTS FOR RELATED DISEASES SUCH AS HYPERLIPIDEMIA JAPAN TOBACCO, INC. (JP) 2000-05-02 US disclosed
US-6037359-A ARTERIOSCLEROSIS PREVENTION; ANTIDIABETIC AGENTS; ANTILIPEMIC AND HYPOGLYCEMIC AGENTS JAPAN TOBACCO, INC. (JP) 2000-03-14 US disclosed
US-5939445-A ISOXAZOLIDINEDIONES COMPOUNDS AS HYPOGLYCEMIC AGENTS AND TREATMENT OF ARTERIOSCLEROSIS JAPAN TOBACCO, INC. (JP) 1999-08-17 US disclosed
EP-0684242-B1 ISOXAZOLIDINEDIONE DERIVATIVE AND USE THEREOF JAPAN TOBACCO INC (JP) 1999-05-06 EP disclosed
US-5728720-A HYPOGLYCEMIC AGENTS; HYPOLIPIDEMIC AGENTS; TREATMENT OF DIABETES JAPAN TOBACCO INC. (JP) 1998-03-17 US disclosed
EP-0684242-A1 ISOXAZOLIDINEDIONE DERIVATIVE AND USE THEREOF JAPAN TOBACCO INC. (JP) 1995-11-29 EP disclosed
EP-0603419-A1 NOVEL THIAZOLIDINEDIONE COMPOUND AND USE THEREOF Japan Tobacco Inc. (JP) 1994-06-29 EP 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 TACR1 1039/4885MMP9 1014/4885ALDH1A1 525/4885
US-20030064972-A1 Materials and methods for the treatment of diabetes, hyperlipidemia, hypercholesterolemia, and atherosclerosis LIPA, LIPC, CETP TACR1 1039/4885MMP9 1014/4885ALDH1A1 525/4885
US-20060047000-A1 Materials and methods for the treatment of diabetes, hyperlipidemia, hypercholesterolemia, and atherosclerosis LIPA, LIPC, CETP TACR1 1039/4885MMP9 1014/4885ALDH1A1 525/4885
US-20050037997-A9 Materials and methods for the treatment of diabetes, hyperlipidemia, hypercholesterolemia, and atherosclerosis LIPA, LIPC, CETP TACR1 1039/4885MMP9 1014/4885ALDH1A1 525/4885
US-20050075379-A1 Materials and methods for the treatment of diabetes, hyperlipidemia, hypercholesterolemia, and atherosclerosis LIPA, LIPC, CETP TACR1 1039/4885MMP9 1014/4885ALDH1A1 525/4885

“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.