SCHEMBL5537247

SCHEMBL5537247

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

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 7/20 0.57
ALDH1A1 P00352 1/20 0.53
GAA P10253 2/20 0.52
NPY5R Q15761 1/20 0.45
CYP2C19 P33261 1/20 0.43
LMNA P02545 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
KDM5A P29375 1/20 0.39
TSHR P16473 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CKS1B P61024 1/20 0.38
SKP1 P63208 1/20 0.38
SKP2 Q13309 1/20 0.38
FAAH O00519 1/20 0.37

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
SCHEMBL2747495 0.88 EPHX2 (0.55) EPHX2ALDH1A1GAANPY5RCYP2C19
SCHEMBL14215417 0.82 ALDH1A1 (0.57) EPHX2ALDH1A1GAANPY5RLMNA
SCHEMBL30884651 0.82 EPHX2 (0.61) EPHX2ALDH1A1GAANPY5RCYP2C19
SCHEMBL21596769 0.82 EPHX2 (0.61) EPHX2ALDH1A1GAANPY5RCYP2C19
SCHEMBL5306811 0.81 EPHX2 (0.53) EPHX2NPY5RCYP2C19CA1CA2
SCHEMBL2747492 0.78 EPHX2 (0.53) EPHX2ALDH1A1GAANPY5RCYP2C19
SCHEMBL17068272 0.77 ALDH1A1 (0.58) ALDH1A1GAALMNANPSR1CA12
SCHEMBL12612604 0.74 ALDH1A1 (0.64) ALDH1A1GAALMNANPSR1CA12
SCHEMBL14618813 0.74 EPHX2 (0.51) EPHX2NPY5RCYP2C19TSHRL3MBTL1
SCHEMBL5537204 0.74 EPHX2 (0.47) EPHX2ALDH1A1GAANPY5RLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 1166/4885ALDH1A1 3505/4885GAA 4010/4885
US-20080103139-A1 3-Carbamoyl-2-Pyridone Derivative CNR1, CNR2, HRH4 EPHX2 1521/4885ALDH1A1 4132/4885GAA 4580/4885

“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.