SCHEMBL2754307

SCHEMBL2754307

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

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
EPHX2 P34913 5/20 0.35
KDM4E B2RXH2 1/20 0.33
HSD17B10 Q99714 1/20 0.33
EPHX1 P07099 3/20 0.32
CCR8 P51685 2/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CYP2D6 P10635 1/20 0.31
KCNH2 Q12809 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
OPRK1 P41145 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
SCHEMBL2746236 0.74 OPRK1 (0.32) ALDH1A1EPHX2KDM4EHSD17B10EPHX1
SCHEMBL10133512 0.74 CCR8 (0.41) ALDH1A1EPHX2KDM4EHSD17B10EPHX1
SCHEMBL24435818 0.72 EPHX2 (0.50) ALDH1A1EPHX2EPHX1CCR8MEN1
SCHEMBL2745838 0.72 EPHX2 (0.34) ALDH1A1EPHX2KDM4EHSD17B10EPHX1
SCHEMBL2980571 0.69 ALDH1A1 (0.38) ALDH1A1EPHX2EPHX1CCR8MEN1
SCHEMBL2754308 0.69 DPP4 (0.39) ALDH1A1EPHX2KDM4EHSD17B10EPHX1
SCHEMBL5540753 0.68 ALDH1A1 (0.41) ALDH1A1EPHX2EPHX1MEN1KMT2A
SCHEMBL10115727 0.66 LMNA (0.47) ALDH1A1EPHX2KDM4EHSD17B10EPHX1
SCHEMBL3778819 0.66 CA12 (0.41) ALDH1A1EPHX1MEN1KMT2A
SCHEMBL2746455 0.64 MEN1 (0.48) ALDH1A1MEN1KMT2AOPRK1

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 ALDH1A1 3505/4885EPHX2 1166/4885KDM4E 1326/4885
US-20080103139-A1 3-Carbamoyl-2-Pyridone Derivative CNR1, CNR2, HRH4 ALDH1A1 4132/4885EPHX2 1521/4885KDM4E 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.