SCHEMBL4707684

SCHEMBL4707684

CCOC(=O)C(=O)Cc1cccc(F)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.49
LMNA P02545 3/20 0.48
GLA P06280 1/20 0.48
CTDSP1 Q9GZU7 1/20 0.46
MAOB P27338 3/20 0.45
HCAR2 Q8TDS4 1/20 0.44
PDE3B Q13370 1/20 0.44
PDE3A Q14432 1/20 0.44
TRPM8 Q7Z2W7 1/20 0.43
RIPK1 Q13546 1/20 0.43
TSPO P30536 1/20 0.42
PTGES O14684 1/20 0.42
ALOX5 P09917 1/20 0.42
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
STAT1 P42224 1/20 0.42
RAB9A P51151 1/20 0.42
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42

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
SCHEMBL15964593 0.88 MAPT (0.45) MAPTLMNAGLAMAOBHCAR2
SCHEMBL25400177 0.85 MAPT (0.47) MAPTLMNAGLAMAOBHCAR2
SCHEMBL7643126 0.84 CYP2D6 (0.47) MAOBHCAR2KDM4EGAASTAT1
SCHEMBL2485584 0.84 MAOB (0.58) MAPTLMNAGLAMAOBHCAR2
SCHEMBL7637134 0.84 CTBP2 (0.50) MAPTLMNACTDSP1MAOBKDM4E
SCHEMBL7637909 0.83 CTDSP1 (0.43) MAPTLMNAGLACTDSP1KDM4E
SCHEMBL7641678 0.83 HCAR2 (0.54) MAPTHCAR2KDM4EGAASTAT1
SCHEMBL3813772 0.83 CTDSP1 (0.47) MAPTCTDSP1KDM4EGAAMEN1
SCHEMBL20543983 0.82 CTBP2 (0.50) MAPTLMNAGLAMAOBHCAR2
SCHEMBL20543982 0.82 CTBP2 (0.50) MAPTLMNAGLAMAOBHCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103228668-B Antidiabetic enolic glycoside of phenylpyruvic acid ZADEC APS (DK) 2016-04-27 CN disclosed
CN-103228668-A Antidiabetic enolic glycoside of phenylpyruvic acid ZADEC APS 2013-07-31 CN disclosed
WO-2008095292-A1 [1,2,3] TRIAZOLYL SUBSTITUTED QUINOLINES AND COUMARINS AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS MERCK FROSST CANADA LTD. (CA) 2008-08-14 WO disclosed
WO-2008095293-A1 [1,2,3] TRIAZOLYL SUBSTITUTED COUMARINS AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS MERCK FROSST CANADA LTD. (CA) 2008-08-14 WO disclosed
US-20080188521-A1 e.g. 4-(3-fluorophenyl)-7-({4-[1-hydroxy-1-(trifluoromethyl)propyl]-1H-1,2,3-triazol-1-yl}methyl)-2H-chromen-2-one; leukotriene biosynthesis and 5-lipoxygenase (5-LO); inhibitor; antiatherosclerotic, antiasthmatic, antiallergic, antiinflammatory and cytoprotective agents MERCK CANADA INC. (CA) 2008-08-07 US disclosed
WO-2006015885-A1 AMINO ACID DEHYDROGENASE-DERIVED BIOCATALYSTS UNIVERSITY COLLEGE DUBLIN, NATIONAL UNIVERSITY OF IRELAND, DUBLIN (IE) 2006-02-16 WO disclosed
EP-1339689-A1 N-TYPE CALCIUM CHANNEL ANTAGONISTS FOR THE TREATMENT OF PAIN AstraZeneca AB (SE) 2003-09-03 EP disclosed
WO-2002036568-A1 N-TYPE CALCIUM CHANNEL ANTAGONISTS FOR THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2002-05-10 WO disclosed
US-6348617-B1 REACTING PYRUVIC ACID COMPOUND IN WATER WITH AMMONIUM OR ALKALI METAL BISULFITE TO GIVE AQUEOUS SOLUTION OF BISULFITE ADDUCT, ISOLATING BY PHASE SEPARATION, OPTIONALLY USING HYDROPHOBIC SOLVENT, CONTACTING WITH ACID TO DECOMPOSE ADDUCT SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-02-19 US disclosed
EP-0937703-A1 METHOD FOR PURIFYING PYRUVIC ACID COMPOUNDS SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1999-08-25 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 (1 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-20080188521-A1 e.g. 4-(3-fluorophenyl)-7-({4-[1-hydroxy-1-(trifluoromethyl)propyl]-1H-1,2,3-triazol-1-yl}methyl)-2H-chromen-2-one; leukotriene biosynthesis and 5-lipoxygenase (5-LO); inhibitor; antiatherosclerotic, antiasthmatic, antiallergic, antiinflammatory and cytoprotective agents ALOX5, ALOX15, ALOX15B MAPT 4753/4885LMNA 630/4885GLA 792/4885

“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.