SCHEMBL2745754

SCHEMBL2745754

CC(C)(N)C(=O)NCC(O)CO

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.35
LMNA P02545 2/20 0.34
CYP2C19 P33261 1/20 0.34
HIF1A Q16665 1/20 0.34
EGFR P00533 1/20 0.32
SRC P12931 1/20 0.32
ALDH1A1 P00352 2/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
DRD3 P35462 1/20 0.31
SLC6A3 Q01959 1/20 0.31
KDM4E B2RXH2 1/20 0.31
HPGD P15428 1/20 0.31
ROCK2 O75116 1/20 0.30
IDO1 P14902 1/20 0.30
PTGS1 P23219 1/20 0.30
KCNH2 Q12809 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
SCHEMBL3464664 0.83 LMNA (0.36) CA2LMNACYP2C19HIF1AEGFR
SCHEMBL25590205 0.83 LMNA (0.36) CA2LMNACYP2C19HIF1AEGFR
SCHEMBL26198162 0.83 LMNA (0.36) CA2LMNACYP2C19HIF1AEGFR
SCHEMBL9497738 0.79 ANPEP (0.34) CYP2C19ALDH1A1
SCHEMBL26023515 0.78 RIPK1 (0.42) LMNACYP2C19HIF1AEGFRSRC
SCHEMBL20692421 0.77 LMNA (0.33) CA2LMNACYP2C19HIF1AEGFR
SCHEMBL7946066 0.77 CYP2D6 (0.50) CYP2C19ALDH1A1GAAMAPTKDM4E
SCHEMBL3139336 0.75 ALDH1A1 (0.46) CA2LMNACYP2C19HIF1AEGFR
SCHEMBL27081436 0.75 ALDH1A1 (0.46) CA2LMNACYP2C19HIF1AEGFR
Oxalic Acid SCHEMBL9795231 0.74 CYP2D6 (0.34) CYP2C19ALDH1A1KDM4E

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 CA2 711/4885LMNA 4280/4885CYP2C19 896/4885
US-20080103139-A1 3-Carbamoyl-2-Pyridone Derivative CNR1, CNR2, HRH4 CA2 703/4885LMNA 3604/4885CYP2C19 1098/4885

“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.