SCHEMBL2745331

SCHEMBL2745331

COC(=O)C(CCSC)NC(=O)c1cc(C)c(C)n(CC2CCCCC2)c1=O

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
MEN1 O00255 1/20 0.51
MAPK1 P28482 1/20 0.51
TAS1R3 Q7RTX0 2/20 0.48
TAS1R1 Q7RTX1 2/20 0.48
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.43
CNR1 P21554 4/20 0.42
CNR2 P34972 4/20 0.42
USP2 O75604 1/20 0.41

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
SCHEMBL5519444 1.00 KMT2A (0.51) KMT2AL3MBTL1MEN1MAPK1TAS1R3
SCHEMBL5519479 1.00 KMT2A (0.51) KMT2AL3MBTL1MEN1MAPK1TAS1R3
SCHEMBL5516022 0.91 CNR1 (0.49) CNR1CNR2USP2
SCHEMBL2746797 0.86 TAS1R3 (0.47) TAS1R3TAS1R1SMN1; SMN2CNR1CNR2
SCHEMBL2746246 0.86 CNR2 (0.44) ALDH1A1CNR1CNR2
SCHEMBL14472350 0.86 CNR2 (0.44) ALDH1A1CNR1CNR2
SCHEMBL5524996 0.86 CNR2 (0.44) ALDH1A1CNR1CNR2
SCHEMBL5516024 0.84 CNR2 (0.52) CNR1CNR2
SCHEMBL11922939 0.84 CNR2 (0.52) CNR1CNR2
SCHEMBL2746618 0.83 CNR1 (0.49) CNR1CNR2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1806342-B1 3-CARBAMOYL-2-PYRIDONE DERIVATIVE SHIONOGI & CO (JP) 2013-04-17 EP disclosed
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 KMT2A 2255/4885L3MBTL1 4811/4885MEN1 4298/4885
US-20080103139-A1 3-Carbamoyl-2-Pyridone Derivative CNR1, CNR2, HRH4 KMT2A 2206/4885L3MBTL1 3878/4885MEN1 3984/4885

“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.