SCHEMBL5055669

SCHEMBL5055669

CNC(=O)c1c(O)c(=O)cc(C)n1C

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.53
MMP7 P09237 1/20 0.53
MMP9 P14780 1/20 0.53
MMP8 P22894 1/20 0.53
MMP13 P45452 1/20 0.53
BAZ2B Q9UIF8 1/20 0.42
ALDH1A1 P00352 1/20 0.35
TYR P14679 2/20 0.34
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
HSD17B10 Q99714 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL5266858 0.81 MMP1 (0.52) MMP1MMP7MMP9MMP8MMP13
SCHEMBL14539772 0.80 MMP1 (0.48) MMP1MMP7MMP9MMP8MMP13
SCHEMBL30107169 0.79 BAZ2B (0.46) MMP1MMP7MMP9MMP8MMP13
SCHEMBL337680 0.79 KDM4E (0.49) MMP1MMP7MMP9MMP8MMP13
SCHEMBL338415 0.78 NOTUM (0.42) MMP1MMP7MMP9MMP8MMP13
SCHEMBL339152 0.77 CNR2 (0.46) MMP1MMP7MMP9MMP8MMP13
SCHEMBL338694 0.77 CNR2 (0.49) MMP1MMP7MMP9MMP8MMP13
SCHEMBL15013364 0.76 MMP1 (0.45) MMP1MMP7MMP9MMP8MMP13
SCHEMBL338840 0.76 TAS1R3 (0.51) MMP1MMP7MMP9MMP8MMP13
SCHEMBL5166818 0.73 MMP1 (0.46) MMP1MMP7MMP9MMP8MMP13

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8097624-B2 Cycloalkyl derivatives of 3-hydroxy-4-pyridinones APOTEX INC. (CA) 2012-01-17 US disclosed
US-8097624-B2 Cycloalkyl derivatives of 3-hydroxy-4-pyridinones APOTEX INC. (CA) 2012-01-17 US disclosed
US-7893269-B2 amidation of 3-(benzyloxy)-1-cyclopropyl-6-methyl-4-oxo-1,4-dihydropyridine-2-carboxylic acid via the 2-acid chloride and then reaction with an amine; hydrolysis or catalytic hydrogenation to deprotect 3-hydroxy group; high yields for industrial application; the 3-(benzyloxy)-2-carboxamide intermediate APOTEX INC (CA) 2011-02-22 US disclosed
US-7893269-B2 amidation of 3-(benzyloxy)-1-cyclopropyl-6-methyl-4-oxo-1,4-dihydropyridine-2-carboxylic acid via the 2-acid chloride and then reaction with an amine; hydrolysis or catalytic hydrogenation to deprotect 3-hydroxy group; high yields for industrial application; the 3-(benzyloxy)-2-carboxamide intermediate APOTEX INC (CA) 2011-02-22 US disclosed
US-20090170850-A1 Cycloalkyl derivatives of 3-hydroxy-4-pyridinones APOTEX INC. 2009-07-02 US disclosed
US-20090170850-A1 Cycloalkyl derivatives of 3-hydroxy-4-pyridinones APOTEX INC. 2009-07-02 US disclosed
US-7410985-B2 Cycloalkyl derivatives of 3-hydroxy-4-pyridinones APOTEX INC. (CA) 2008-08-12 US disclosed
US-7410985-B2 Cycloalkyl derivatives of 3-hydroxy-4-pyridinones APOTEX INC. (CA) 2008-08-12 US disclosed
US-20080096886-A1 Process For The Manufacture Of 3-Hydroxy-N-Alkyl-1-Cycloalkyl-6-Alkyl-4-Oxo-1,4-Dihydropyridine-2-Carboxamide And Its Related Analogues APOTEX INC. (CA) 2008-04-24 US disclosed
US-20080096886-A1 Process For The Manufacture Of 3-Hydroxy-N-Alkyl-1-Cycloalkyl-6-Alkyl-4-Oxo-1,4-Dihydropyridine-2-Carboxamide And Its Related Analogues APOTEX INC. (CA) 2008-04-24 US disclosed
US-20080096886-A1 Process For The Manufacture Of 3-Hydroxy-N-Alkyl-1-Cycloalkyl-6-Alkyl-4-Oxo-1,4-Dihydropyridine-2-Carboxamide And Its Related Analogues APOTEX INC. (CA) 2008-04-24 US disclosed
US-20070082904-A1 Cycloalkyl derivatives of 3-hydroxy-4-pyridinones field of the invention APOTEX INC. (CA) 2007-04-12 US disclosed
US-20070082904-A1 Cycloalkyl derivatives of 3-hydroxy-4-pyridinones field of the invention APOTEX INC. (CA) 2007-04-12 US disclosed
EP-1440061-B1 PROCESSES FOR THE MANUFACTURING OF 3-HYDROXY-N,1,6-TRIALKYL-4-OXO-1,4-DIHYDROPYRIDINE-2-CARBOXAMIDE APOTEX INC (CA) 2007-04-11 EP disclosed
EP-1440061-A1 PROCESSES FOR THE MANUFACTURING OF 3-HYDROXY-N,1,6-TRIALKYL-4-OXO-1,4-DIHYDROPYRIDINE-2-CARBOXAMIDE APOTEX INC. (CA) 2004-07-28 EP disclosed
WO-2003037867-A1 PROCESSES FOR THE MANUFACTURING OF 3-HYDROXY-N,1,6-TRIALKYL-4-OXO-1,4-DIHYDROPYRIDINE-2-CARBOXAMIDE APOTEX INC. (CA) 2003-05-08 WO disclosed
US-6476229-B1 Processes for the manufacturing of 3-hydroxy-N,1,6-trialkyl-4-oxo-1,4-dihydropyridine-2-carboxamide APOTEX, INC. (CA) 2002-11-05 US disclosed
US-6472532-B1 INEXPENSIVE METHOD USING KOJIC ACID AS SAFE STARTING MATERIAL FOR SYNTHESIS OF ORALLY ACTIVE IRON CHELATORS APOTEX, INC. (CA) 2002-10-29 US disclosed
US-6426418-B1 REACTING A 3-OXY-2-HYDROXYALKYL-4H-PYRAN-4-ONE DERIVATIVE WITH SODIUM HYPOCHLORITE SOLUTION, POTASSIUM BROMIDE, TEMPO, AND A PHASE TRANSFER CATALYST TO PRODUCE A 3-OXY-2-CARBOXY-4H-PYRAN-4-ONE DERIVATIVE APOTEX, INC. (CA) 2002-07-30 US 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 (3 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-20090170850-A1 Cycloalkyl derivatives of 3-hydroxy-4-pyridinones HAMP, C1S, C1R MMP1 2371/4885MMP7 2042/4885MMP9 3233/4885
US-20070082904-A1 Cycloalkyl derivatives of 3-hydroxy-4-pyridinones field of the invention HAMP, C1S, SLC40A1 MMP1 2656/4885MMP7 1612/4885MMP9 4218/4885
US-20080096886-A1 Process For The Manufacture Of 3-Hydroxy-N-Alkyl-1-Cycloalkyl-6-Alkyl-4-Oxo-1,4-Dihydropyridine-2-Carboxamide And Its Related Analogues ADH1C, ADH1A, ADH5 MMP1 3275/4885MMP7 3695/4885MMP9 2772/4885

“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.