SCHEMBL2747495

SCHEMBL2747495

CC(C)S(=O)(=O)N1CCC(NC(=O)C(C)(C)N)CC1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 8/20 0.55
NPY5R Q15761 1/20 0.43
CYP2C19 P33261 1/20 0.42
GAA P10253 2/20 0.41
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CNR1 P21554 1/20 0.38
FAAH O00519 1/20 0.36
SIGMAR1 Q99720 1/20 0.35
EPHX1 P07099 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
SCHEMBL5537247 0.88 EPHX2 (0.57) EPHX2NPY5RCYP2C19GAAALDH1A1
SCHEMBL2746762 0.83 EPHX2 (0.49) EPHX2NPY5RGAAALDH1A1TSHR
SCHEMBL30884651 0.83 EPHX2 (0.61) EPHX2NPY5RCYP2C19GAAALDH1A1
SCHEMBL21596769 0.80 EPHX2 (0.61) EPHX2NPY5RCYP2C19GAAALDH1A1
SCHEMBL13300919 0.78 ALDH1A1 (0.48) ALDH1A1SIGMAR1
SCHEMBL5306811 0.78 EPHX2 (0.53) EPHX2NPY5RCYP2C19EPHX1
SCHEMBL2747492 0.78 EPHX2 (0.53) EPHX2NPY5RCYP2C19GAAALDH1A1
SCHEMBL13321377 0.76 SSTR4 (0.49) ALDH1A1
SCHEMBL25068274 0.75 PKM (0.47) EPHX2ALDH1A1SIGMAR1EPHX1
SCHEMBL12228110 0.75 PARP1 (0.42) ALDH1A1SIGMAR1

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 EPHX2 1166/4885NPY5R 252/4885CYP2C19 896/4885
US-20080103139-A1 3-Carbamoyl-2-Pyridone Derivative CNR1, CNR2, HRH4 EPHX2 1521/4885NPY5R 143/4885CYP2C19 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.