SCHEMBL2745486

SCHEMBL2745486

CCOC(=O)C(C(=O)OCC)c1ccc(N)c(C(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.40
AKR1C3 P42330 9/20 0.40
AKR1C2 P52895 9/20 0.40
MMP8 P22894 1/20 0.38
AKR1B10 O60218 3/20 0.38
AKR1C4 P17516 3/20 0.38
AKR1C1 Q04828 3/20 0.38
FFAR4 Q5NUL3 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
KCNH2 Q12809 1/20 0.36
ALDH1A1 P00352 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL17665552 0.89 MEN1 (0.39) AKR1C3AKR1C2MMP8AKR1B10AKR1C4
SCHEMBL3653822 0.83 AKR1C3 (0.44) ARAKR1C3AKR1C2AKR1B10AKR1C4
SCHEMBL7714873 0.82 AKR1C3 (0.41) ARAKR1C3AKR1C2AKR1B10AKR1C4
SCHEMBL2297081 0.81 MMP8 (0.41) AKR1C3AKR1C2MMP8KCNH2ALDH1A1
SCHEMBL17653973 0.81 MEN1 (0.40) AKR1C3AKR1C2MMP8AKR1B10AKR1C4
SCHEMBL11920717 0.80 MMP8 (0.43) ARMMP8MEN1KMT2AKCNH2
SCHEMBL17653962 0.80 AR (0.47) AR
SCHEMBL2746779 0.79 AR (0.49) ARAKR1C3AKR1C2KCNH2ALDH1A1
SCHEMBL17665462 0.78 MEN1 (0.40) AKR1C3AKR1C2MMP8AKR1B10AKR1C4
SCHEMBL17653867 0.77 CA12 (0.44) MMP8MEN1KMT2AALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016051193-A1 COMPOUNDS USEFUL AS CSF1 MODULATORS REDX PHARMA PLC (GB) 2016-04-07 WO disclosed
CN-1993327-B 3-carbamoyl-2-pyridone derivatives SHIONOGI & CO 2013-02-06 CN disclosed
US-8367666-B2 3-carbamoyl-2-pyridone derivatives SHIONOGI & CO., LTD. (JP) 2013-02-05 US disclosed
US-8367666-B2 3-carbamoyl-2-pyridone derivatives SHIONOGI & CO., LTD. (JP) 2013-02-05 US 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-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-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
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
EP-1806342-A1 3-CARBAMOYL-2-PYRIDONE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2007-07-11 EP disclosed
CN-1993327-A 3-carbamoyl-2-pyridone derivatives SHIONOGI & CO (JP) 2007-07-04 CN 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 AR 1078/4885AKR1C3 1277/4885AKR1C2 1979/4885
US-20080103139-A1 3-Carbamoyl-2-Pyridone Derivative CNR1, CNR2, HRH4 AR 1184/4885AKR1C3 650/4885AKR1C2 1386/4885

“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.