SCHEMBL6356007

SCHEMBL6356007

O=C(O)CC(=O)CCc1cccc(F)c1F

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 1/20 0.46
CXCL8 P10145 2/20 0.41
FFAR4 Q5NUL3 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CES2 O00748 1/20 0.39
BCHE P06276 1/20 0.39
CES1 P23141 1/20 0.39
RIPK1 Q13546 1/20 0.38
IAPP P10997 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
FFAR1 O14842 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 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
SCHEMBL28159137 0.88 IAPP (0.46) FFAR4ALDH1A1MEN1KMT2ACES2
SCHEMBL1337385 0.86 FFAR4 (0.47) FFAR4ALDH1A1MEN1KMT2ACES2
SCHEMBL29680321 0.79 FFAR4 (0.50) FFAR4ALDH1A1MEN1KMT2ACES2
SCHEMBL4639208 0.79 FFAR4 (0.50) FFAR4ALDH1A1MEN1KMT2ACES2
SCHEMBL956388 0.79 CYP4F2 (0.48) ALDH1A1KMT2ARIPK1IAPPSMN1; SMN2
SCHEMBL3456260 0.78 RIPK1 (0.41) RIPK1IAPP
SCHEMBL30428005 0.78 FFAR4 (0.49) FFAR4ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL16070965 0.77 IAPP (0.56) FFAR4ALDH1A1MEN1KMT2ACES2
SCHEMBL4322411 0.77 CES2 (0.42) FFAR4ALDH1A1MEN1KMT2ACES2
SCHEMBL28815478 0.77 ALDH1A1 (0.46) MMP12CXCL8FFAR4ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050043335-A1 Such as N-methyl-2-(2-(2-(2,3-difluorophenyl)ethyl)-7-(3-dimethylaminoprop-1-yl)-4-oxo-4H-quinolin-1-yl)-N-(4-(4-trifluoromethylphenyl)benzyl)acetamide bitartrate; plateley activating factor acetylhydrolase inhibitors; for treatment of atherosclerosis SMITHKLINE BEECHAM PLC (GB) 2005-02-24 US disclosed
EP-1442020-A1 HETEROCYCLIC DERIVATIVES OF GLYCINAMIDE AND THEIR MEDICAL USE SmithKline Beecham plc (GB) 2004-08-04 EP disclosed
WO-2003042179-A1 HETEROCYCLIC DERIVATIVES OF GLYCINAMIDE AND THEIR MEDICAL USE SMITHKLINE BEECHAM P.L.C. (GB) 2003-05-22 WO 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-20050043335-A1 Such as N-methyl-2-(2-(2-(2,3-difluorophenyl)ethyl)-7-(3-dimethylaminoprop-1-yl)-4-oxo-4H-quinolin-1-yl)-N-(4-(4-trifluoromethylphenyl)benzyl)acetamide bitartrate; plateley activating factor acetylhydrolase inhibitors; for treatment of atherosclerosis PLA2G7, PAFAH1B2, PLAAT2 MMP12 118/4885CXCL8 2601/4885FFAR4 286/4885

“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.