SCHEMBL2746097

SCHEMBL2746097

C[C](C(N)=O)C(=O)NCCC(N)=O

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 1/20 0.33
PLA2G2A P14555 1/20 0.32
KDM4E B2RXH2 1/20 0.30
MAPK1 P28482 1/20 0.30
HIF1A Q16665 1/20 0.30

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
SCHEMBL2745966 0.80 ALDH1A1 (0.38) KDM4EMAPK1HIF1A
SCHEMBL2746168 0.80 KDM4E (0.46) KDM4EMAPK1HIF1A
SCHEMBL6402194 0.78 TDP1 (0.40) ECE1PLA2G2AKDM4EMAPK1HIF1A
SCHEMBL2746552 0.77 PTGS1 (0.42) KDM4EMAPK1HIF1A
SCHEMBL751437 0.77
SCHEMBL2747678 0.75 TDP1 (0.46) KDM4EMAPK1HIF1A
SCHEMBL2746055 0.74 TDP1 (0.49) KDM4EMAPK1HIF1A
SCHEMBL2746778 0.74 TDP1 (0.49) KDM4EMAPK1HIF1A
SCHEMBL5544335 0.71 POLB (0.42) ECE1KDM4E
SCHEMBL9190888 0.71 PLA2G4A (0.43) PLA2G2AKDM4EMAPK1HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8367666-B2 3-carbamoyl-2-pyridone derivatives SHIONOGI & CO., LTD. (JP) 2013-02-05 US disclosed
US-20120208813-A1 3-CARBAMOYL-2-PYRIDONE DERIVATIVES SHIONOGI & CO., LTD. 2012-08-16 US disclosed
US-8178681-B2 methyl 3-methyl-2-{[2-oxo-1-(2-oxo-ethyl)-1,2,5,6,7,8,9,10-octahydro-cycloocta[b]pyridine-3-carbonyl]-amino}-butyrate; cannabinoid receptor agonist; antiinflammatory agent, immunostimulant, analgesic; atopic dermatitis; excellent in photostability, and have excellent transdermal and oral absorbency SHIONOGI & CO., LTD. (JP) 2012-05-15 US disclosed
US-20080103139-A1 3-Carbamoyl-2-Pyridone Derivative SHIONOGI & CO. LTD. (JP) 2008-05-01 US disclosed
EP-1806342-A1 3-CARBAMOYL-2-PYRIDONE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2007-07-11 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 (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-20120208813-A1 3-CARBAMOYL-2-PYRIDONE DERIVATIVES CNR2, CNR1, HRH4 ECE1 954/4885PLA2G2A 356/4885KDM4E 1326/4885
US-20080103139-A1 3-Carbamoyl-2-Pyridone Derivative CNR1, CNR2, HRH4 ECE1 1280/4885PLA2G2A 276/4885KDM4E 1522/4885

“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.