SCHEMBL102571

SCHEMBL102571

O=[N+]([O-])c1c(C(F)(F)F)ccc(F)c1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPAS1 Q99814 2/20 0.42
VEGFA P15692 1/20 0.41
TTR P02766 1/20 0.39
S100A4 P26447 1/20 0.38
ABCC8 Q09428 2/20 0.37
KCNJ11 Q14654 2/20 0.37
KIF11 P52732 1/20 0.36
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 1/20 0.35
GRIN2C Q14957 1/20 0.35
GRIN3A Q8TCU5 1/20 0.35
GPR35 Q9HC97 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HIF1A Q16665 1/20 0.34
P2RX1 P51575 1/20 0.33
MEN1 O00255 1/20 0.33
GALR3 O60755 1/20 0.33

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
SCHEMBL21487282 0.81 MAPT (0.37) EPAS1VEGFATTRS100A4ABCC8
SCHEMBL29833734 0.81 S100A4 (0.45) TTRS100A4GRIN2DGRIN3BGRIN1
SCHEMBL103726 0.81 S100A4 (0.45) TTRS100A4GRIN2DGRIN3BGRIN1
SCHEMBL6355461 0.78 EPAS1 (0.43) EPAS1VEGFAABCC8KCNJ11KIF11
SCHEMBL18300010 0.75 EPAS1 (0.41) EPAS1VEGFAABCC8KCNJ11KIF11
SCHEMBL31522139 0.75 EPAS1 (0.39) EPAS1VEGFAABCC8KCNJ11KIF11
SCHEMBL972079 0.74 ALDH1A1 (0.41) EPAS1VEGFAABCC8KCNJ11KIF11
SCHEMBL2792217 0.73 GPR35 (0.56) EPAS1S100A4ABCC8KCNJ11KIF11
SCHEMBL1995800 0.72 TDP1 (0.46) EPAS1VEGFAS100A4ABCC8KCNJ11
SCHEMBL7450322 0.72 PDE7A (0.45) EPAS1VEGFAABCC8KCNJ11KIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105431427-A Novel PDE4 inhibitor MEIJI SEIKA PHARMA CO LTD 2016-03-23 CN disclosed
US-8883826-B2 Alkynyl derivatives as modulators of metabotropic glutamate receptors ADDEX PHARMA SA (CH) 2014-11-11 US disclosed
US-8674106-B2 Alkynyl derivatives as modulators of metabotropic glutamate receptors ADDEX PHARMA SA (CH) 2014-03-18 US disclosed
US-20130178631-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2013-07-11 US disclosed
CN-102993084-A Alkynyl derivatives as modulators of metabotropic glutamate receptors ADDEX PHARMACEUTICALS SA 2013-03-27 CN disclosed
CN-101001846-B Alkynyl derivatives as modulators of metabotropic glutamate receptors ADDEX PHARMACEUTICALS SA 2012-11-07 CN disclosed
US-20120277237-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2012-11-01 US disclosed
EP-2426115-A2 Alkynyl derivatives as modulators of metabotropic glutamate receptors Addex Pharma SA (CH) 2012-03-07 EP disclosed
US-8101637-B2 Alkynyl derivatives as modulators of metatropic glutamate receptors ADDEX PHARMA SA (CH) 2012-01-24 US disclosed
US-20090124625-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS ADDEX PHARMACEUTICALS SA (CH) 2009-05-14 US disclosed
CN-101001846-A Novel alkynyl derivatives as modulators of metabotropic glutamate receptors ADDEX PHARMACEUTICALS SA (CH) 2007-07-18 CN disclosed
EP-1765795-A2 ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Addex Pharmaceuticals SA (CH) 2007-03-28 EP disclosed
WO-2005123703-A2 ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMACEUTICALS SA (CH) 2005-12-29 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 (3 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-20130178631-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 EPAS1 3373/4885VEGFA 4826/4885TTR 4391/4885
US-20090124625-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 EPAS1 3323/4885VEGFA 4836/4885TTR 4482/4885
US-20120277237-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 EPAS1 3373/4885VEGFA 4826/4885TTR 4391/4885

“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.