SCHEMBL2746243

SCHEMBL2746243

C[C](C(N)=O)C(=O)Nc1ccc(NS(C)(=O)=O)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
KDM4E B2RXH2 3/20 0.47
LMNA P02545 2/20 0.47
HPGD P15428 4/20 0.44
ALDH1A1 P00352 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
HTT P42858 1/20 0.44
KEAP1 Q14145 1/20 0.44
PTGS2 P35354 1/20 0.43
RECQL P46063 1/20 0.43
XDH P47989 1/20 0.43
PIP4K2A P48426 1/20 0.43
PIP4K2B P78356 1/20 0.43
MAPT P10636 1/20 0.42
NR3C2 P08235 1/20 0.42
KIF11 P52732 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL19808251 0.80 CA1 (0.57) CA12CA1CA2CA9KDM4E
SCHEMBL395543 0.79 RXFP1 (0.57) CA12CA1CA2CA9KDM4E
SCHEMBL4281965 0.79 MAPT (0.55) CA12CA1CA2CA9KDM4E
SCHEMBL4577014 0.79 KEAP1 (0.55) CA12CA1CA2CA9KDM4E
SCHEMBL10868056 0.78 HPGD (0.67) CA12CA1CA2CA9KDM4E
SCHEMBL2746233 0.77 ALDH1A1 (0.54) KDM4EALDH1A1SMN1; SMN2MAPTMAPK1
SCHEMBL2745514 0.77 HSD17B10 (0.57) LMNAALDH1A1SMN1; SMN2MAPTTSHR
SCHEMBL2746245 0.75 CA12 (0.50) CA12CA1CA2CA9KDM4E
SCHEMBL19329702 0.74 KEAP1 (0.59) CA12CA1CA2CA9KDM4E
SCHEMBL11922959 0.74 L3MBTL1 (0.70) CA12CA1CA2CA9KDM4E

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 CA12 3908/4885CA1 3604/4885CA2 711/4885
US-20080103139-A1 3-Carbamoyl-2-Pyridone Derivative CNR1, CNR2, HRH4 CA12 3567/4885CA1 2935/4885CA2 703/4885

“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.