SCHEMBL2746079

SCHEMBL2746079

C[C](C(N)=O)C(=O)NCCOCCO

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
TSHR P16473 2/20 0.36
MAPK1 P28482 1/20 0.36
LMNA P02545 1/20 0.33
ACHE P22303 1/20 0.33
ATG4B Q9Y4P1 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 1/20 0.31
CA2 P00918 1/20 0.31

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
SCHEMBL2745966 0.81 ALDH1A1 (0.38) MEN1KMT2AMAPK1LMNASMN1; SMN2
SCHEMBL21925689 0.80 TSHR (0.50) MEN1KMT2ATSHRMAPK1LMNA
SCHEMBL50311 0.79 MEN1 (0.41) MEN1KMT2ATSHRMAPK1LMNA
SCHEMBL7530528 0.78 MEN1 (0.44) MEN1KMT2ATSHRMAPK1ACHE
SCHEMBL2535258 0.78 MEN1 (0.44) MEN1KMT2ATSHRMAPK1ACHE
SCHEMBL29519084 0.78 MEN1 (0.44) MEN1KMT2ATSHRMAPK1ACHE
SCHEMBL29519318 0.78 MEN1 (0.44) MEN1KMT2ATSHRMAPK1ACHE
SCHEMBL29519177 0.78 MEN1 (0.44) MEN1KMT2ATSHRMAPK1ACHE
SCHEMBL2746552 0.77 PTGS1 (0.42) MAPK1ACHECA2
SCHEMBL2523273 0.77 TSHR (0.46) MEN1KMT2ATSHRMAPK1LMNA

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 MEN1 4298/4885KMT2A 2255/4885TSHR 1412/4885
US-20080103139-A1 3-Carbamoyl-2-Pyridone Derivative CNR1, CNR2, HRH4 MEN1 3984/4885KMT2A 2206/4885TSHR 1109/4885

“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.