SCHEMBL2746052

SCHEMBL2746052

CC(C)(N)C(=O)NNS(=O)(=O)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
BCAT1 P54687 2/20 0.62
GAA P10253 5/20 0.57
KAT6A Q92794 6/20 0.56
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
ALDH1A1 P00352 2/20 0.49
POLB P06746 1/20 0.49
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49
MAPT P10636 1/20 0.48

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
SCHEMBL14679321 0.86 HTT (0.66) HTTSMN1; SMN2BCAT1GAAKAT6A
SCHEMBL4584839 0.83 PPARA (0.55) HTTSMN1; SMN2BCAT1MEN1KMT2A
SCHEMBL5537015 0.81 HTT (0.59) HTTSMN1; SMN2BCAT1GAAKAT6A
SCHEMBL9733160 0.77 BCAT1 (1.00) HTTSMN1; SMN2BCAT1GAAKAT6A
SCHEMBL2361900 0.77 BCAT1 (0.67) HTTSMN1; SMN2BCAT1GAAKAT6A
SCHEMBL11532705 0.76 BCAT1 (0.71) HTTSMN1; SMN2BCAT1GAAKAT6A
SCHEMBL2746048 0.75 BCAT1 (0.65) HTTSMN1; SMN2BCAT1GAAKAT6A
Urea SCHEMBL28099509 0.75 BCAT1 (0.65) HTTSMN1; SMN2BCAT1GAAKAT6A
SCHEMBL11513730 0.74 MEN1 (0.72) HTTSMN1; SMN2BCAT1GAAKAT6A
SCHEMBL7627545 0.74 BCAT1 (0.62) HTTSMN1; SMN2BCAT1GAAKAT6A

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 HTT 4417/4885SMN1; SMN2 4550/4885BCAT1 3948/4885
US-20080103139-A1 3-Carbamoyl-2-Pyridone Derivative CNR1, CNR2, HRH4 HTT 4351/4885SMN1; SMN2 4482/4885BCAT1 3241/4885

“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.