SCHEMBL13653

SCHEMBL13653

Cc1ccc(OC(F)(F)F)cc1OCC(=O)CN

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 5/20 0.43
GAA P10253 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
FFAR4 Q5NUL3 5/20 0.40
FFAR1 O14842 2/20 0.40
CETP P11597 1/20 0.40
MAOB P27338 1/20 0.39
AOC3 Q16853 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
CYP3A4 P08684 1/20 0.38
KCNH2 Q12809 1/20 0.38
CACNA1C Q13936 1/20 0.38
SCN5A Q14524 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
PIM1 P11309 1/20 0.37
KDM4E B2RXH2 1/20 0.37
KMT2A Q03164 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37

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
SCHEMBL17486535 0.85 MAOB (0.41) PPARDGAAMAOBAOC3PIM1
SCHEMBL14850083 0.84 PTGDR2 (0.39) PPARDGAAMAOBAOC3PIM1
SCHEMBL19719283 0.83 ALDH1A1 (0.41) PPARDMAOBAOC3LMNAHTT
SCHEMBL13672 0.77 FFAR4 (0.46) PPARDTDP1FFAR4FFAR1MAOB
SCHEMBL13761 0.77 ALOX15 (0.40) PPARDFFAR4FFAR1MAOBAOC3
SCHEMBL13700996 0.76 L3MBTL1 (0.44) FFAR4FFAR1KDM4EPOLB
SCHEMBL14853290 0.76 CYP1A2 (0.37) GAAFFAR4FFAR1MAOBAOC3
SCHEMBL13651 0.76 ALOX15 (0.56) FFAR4FFAR1MAOBAOC3LMNA
SCHEMBL14025 0.76 FFAR4 (0.39) PPARDGAAFFAR4FFAR1MAOB
SCHEMBL29177335 0.76 PIM1 (0.41) GAAFFAR4FFAR1LMNASMN1; SMN2

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-9216979-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2015-12-22 US disclosed
US-20130090326-A1 Antimicrobial Compounds and Methods of Making and Using the Same RIB-X PHARMACEUTICALS, INC. (US) 2013-04-11 US disclosed
WO-2011047323-A2 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME RIB-X PHARMACEUTICALS, INC. (US) 2011-04-21 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-20130090326-A1 Antimicrobial Compounds and Methods of Making and Using the Same MPO, LPO, CAT PPARD 1550/4885GAA 934/4885TDP1 2438/4885

“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.