SCHEMBL5545839

SCHEMBL5545839

CC(C)(C)C(=O)NNS(C)(=O)=O

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
MAPT P10636 1/20 0.35
KDM4E B2RXH2 2/20 0.35
CA2 P00918 4/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
CA1 P00915 3/20 0.33
CA7 P43166 2/20 0.33
CA9 Q16790 2/20 0.33
CA14 Q9ULX7 2/20 0.33
CA12 O43570 1/20 0.33
CA4 P22748 1/20 0.31
GAA P10253 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30
POLB P06746 1/20 0.30
PPARA Q07869 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
SCHEMBL2746696 0.81 CA2 (0.32) ALDH1A1KDM4ECA2GAASMN1; SMN2
SCHEMBL27377955 0.78 ALDH1A1 (0.34) ALDH1A1MAPTKDM4ECA2L3MBTL1
SCHEMBL22489316 0.78 KDM4E (0.34) ALDH1A1MAPTKDM4EL3MBTL1
SCHEMBL10265354 0.76 KDM4E (0.33) ALDH1A1MAPTKDM4ECA2L3MBTL1
SCHEMBL11923114 0.75 KDM4E (0.33) ALDH1A1MAPTKDM4ECA2L3MBTL1
SCHEMBL6635776 0.74 L3MBTL1 (0.46) ALDH1A1MAPTKDM4EL3MBTL1GAA
SCHEMBL92831 0.74 PPARA (0.43) ALDH1A1MAPTCA2L3MBTL1CA1
SCHEMBL10785268 0.70
SCHEMBL6992134 0.70
SCHEMBL26048444 0.70 KDM4E (0.35) ALDH1A1MAPTKDM4ECA2L3MBTL1

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 7 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-20100193777-A1 METHOD OF PRODUCING A DESUBSTITUTED COMPOUND, ORGANIC SEMICONDUCTOR FILM AND METHOD OF PRODUCING THE SAME FUJIFILM CORPORATION 2010-08-05 US disclosed
US-20100193777-A1 METHOD OF PRODUCING A DESUBSTITUTED COMPOUND, ORGANIC SEMICONDUCTOR FILM AND METHOD OF PRODUCING THE SAME FUJIFILM CORPORATION 2010-08-05 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 ALDH1A1 3505/4885MAPT 2374/4885KDM4E 1326/4885
US-20080103139-A1 3-Carbamoyl-2-Pyridone Derivative CNR1, CNR2, HRH4 ALDH1A1 4132/4885MAPT 4270/4885KDM4E 1522/4885

“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.