SCHEMBL2746430

SCHEMBL2746430

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

nearest known ligand 0.31

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
MAPT P10636 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
LMNA P02545 1/20 0.30
ALOX15 P16050 1/20 0.30
BLM P54132 1/20 0.30
PMP22 Q01453 1/20 0.30
ALDH1A1 P00352 1/20 0.30
ALDH2 P05091 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
SCHEMBL224543 0.80 CA12 (0.36) CA12CA1CA2CA9MAPT
SCHEMBL2746472 0.80 MAPT (0.35) MAPT
SCHEMBL28957029 0.78 TDP1 (0.50) TDP1
SCHEMBL13609679 0.75 MAPT (0.36) CA12CA1CA2CA9MAPT
SCHEMBL10351406 0.74 CA12 (0.43) CA12CA1CA2CA9MAPT
SCHEMBL275348 0.71 MAPT (0.33) CA12CA1CA2CA9MAPT
SCHEMBL22984189 0.71 MAPT (0.33) CA12CA1CA2CA9MAPT
SCHEMBL8940796 0.69 MAPT (0.40) CA12CA1CA2CA9MAPT
SCHEMBL194829 0.69 CA12 (0.39) CA12CA1CA2CA9MAPT
SCHEMBL474902 0.69 MAPT (0.40) CA12CA1CA2CA9MAPT

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.