SCHEMBL338465

SCHEMBL338465

Cc1cc(=O)c(O)c(C(=O)NC2CC2)n1C1CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.43
NOTUM Q6P988 1/20 0.40
KDM4E B2RXH2 1/20 0.40
HTT P42858 1/20 0.40
TAS1R3 Q7RTX0 4/20 0.38
TAS1R1 Q7RTX1 4/20 0.38
TAS1R2 Q8TE23 4/20 0.38
CNR2 P34972 1/20 0.38
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
ALDH1A1 P00352 2/20 0.35
MMP1 P03956 1/20 0.35
MMP7 P09237 1/20 0.35
MMP9 P14780 1/20 0.35
MMP8 P22894 1/20 0.35
MMP13 P45452 1/20 0.35
BRD4 O60885 1/20 0.35
LIPG Q9Y5X9 1/20 0.35

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
SCHEMBL339093 0.93 TAS1R3 (0.48) KDM4ETAS1R3TAS1R1TAS1R2CNR2
SCHEMBL338415 0.86 NOTUM (0.42) NOTUMKDM4EHTTNPC1RAB9A
SCHEMBL337680 0.84 KDM4E (0.49) RIPK1KDM4EHTTTAS1R3TAS1R1
SCHEMBL12473041 0.81 NOTUM (0.53) NOTUMNPC1RAB9AGAAMAPT
SCHEMBL338418 0.81 MEN1 (0.41) NOTUMKDM4EHTTNPC1RAB9A
SCHEMBL27655379 0.80 NOTUM (0.44) NOTUMKDM4ENPC1RAB9AGAA
SCHEMBL339152 0.79 CNR2 (0.46) RIPK1KDM4EHTTTAS1R3TAS1R1
SCHEMBL338694 0.79 CNR2 (0.49) KDM4EHTTTAS1R3TAS1R1TAS1R2
SCHEMBL338840 0.78 TAS1R3 (0.51) TAS1R3TAS1R1TAS1R2CNR2NPC1
SCHEMBL337853 0.77 NOTUM (0.42) NOTUMNPC1RAB9AGAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1687298-B1 CYCLOALKYL DERIVATIVES OF 3-HYDROXY-4-PYRIDINONES APOTEX INC (CA) 2012-12-26 EP claimed
US-7410985-B2 Cycloalkyl derivatives of 3-hydroxy-4-pyridinones APOTEX INC. (CA) 2008-08-12 US claimed
US-20070082904-A1 Cycloalkyl derivatives of 3-hydroxy-4-pyridinones field of the invention APOTEX INC. (CA) 2007-04-12 US claimed
EP-1687298-B1 CYCLOALKYL DERIVATIVES OF 3-HYDROXY-4-PYRIDINONES APOTEX INC (CA) 2012-12-26 EP disclosed
EP-1687298-B1 CYCLOALKYL DERIVATIVES OF 3-HYDROXY-4-PYRIDINONES APOTEX INC (CA) 2012-12-26 EP disclosed
EP-1824823-B1 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) 2012-04-25 EP disclosed
EP-1824823-B1 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) 2012-04-25 EP disclosed
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-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-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
EP-1687298-A4 CYCLOALKYL DERIVATIVES OF 3-HYDROXY-4-PYRIDINONES APOTEX INC (CA) 2007-10-17 EP 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
US-20070082904-A1 Cycloalkyl derivatives of 3-hydroxy-4-pyridinones field of the invention APOTEX INC. (CA) 2007-04-12 US disclosed
EP-1687298-A1 CYCLOALKYL DERIVATIVES OF 3-HYDROXY-4-PYRIDINONES Apotex Inc. (CA) 2006-08-09 EP disclosed
WO-2005049609-A1 CYCLOALKYL DERIVATIVES OF 3-HYDROXY-4-PYRIDINONES APOTEX INC. (CA) 2005-06-02 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 (2 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-20070082904-A1 Cycloalkyl derivatives of 3-hydroxy-4-pyridinones field of the invention HAMP, C1S, SLC40A1 RIPK1 3711/4885NOTUM 4672/4885KDM4E 2707/4885
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 RIPK1 3813/4885NOTUM 1178/4885KDM4E 1284/4885

“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.