SCHEMBL2745838

SCHEMBL2745838

C[C](C(N)=O)C(=O)N1CCC(NS(C)(=O)=O)CC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 6/20 0.34
EPHX1 P07099 2/20 0.34
CCR8 P51685 2/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
IKBKB O14920 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 1/20 0.33
DPP4 P27487 1/20 0.32
DPP8 Q6V1X1 1/20 0.32
DPP9 Q86TI2 1/20 0.32

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
SCHEMBL12017963 0.80 EPHX2 (0.51) EPHX2EPHX1CCR8MEN1KMT2A
SCHEMBL2746455 0.78 MEN1 (0.48) MEN1KMT2AALDH1A1
SCHEMBL2745839 0.76 CNR1 (0.40) EPHX2EPHX1CNR1CNR2IKBKB
SCHEMBL11923033 0.76 ALDH1A1 (0.41) EPHX2EPHX1CNR1CNR2MEN1
SCHEMBL29583044 0.76 EPHX2 (0.43) EPHX2EPHX1CCR8IKBKBDPP4
SCHEMBL2745755 0.74 HTT (0.36) EPHX2DPP4
SCHEMBL2745870 0.73 GAA (0.51) KDM4EALDH1A1
SCHEMBL29333286 0.72 EPHX2 (0.43) EPHX2MEN1KMT2AALDH1A1DPP4
SCHEMBL716519 0.72 EPHX1 (0.58) EPHX2EPHX1CCR8ALDH1A1
SCHEMBL2754307 0.72 ALDH1A1 (0.36) EPHX2EPHX1CCR8KDM4EHSD17B10

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 EPHX2 1166/4885EPHX1 1087/4885CCR8 497/4885
US-20080103139-A1 3-Carbamoyl-2-Pyridone Derivative CNR1, CNR2, HRH4 EPHX2 1521/4885EPHX1 1472/4885CCR8 322/4885

“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.