SCHEMBL5159161

SCHEMBL5159161

CCC(Oc1cncc(C#N)c1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.48
SLC22A12 Q96S37 2/20 0.40
PPARG P37231 3/20 0.37
PPARA Q07869 3/20 0.37
XDH P47989 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
RAF1 P04049 1/20 0.36
ALDH1A1 P00352 2/20 0.35
GPR119 Q8TDV5 1/20 0.35
HSD17B10 Q99714 1/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
EPAS1 Q99814 1/20 0.34
FABP4 P15090 1/20 0.34

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
SCHEMBL5158853 0.86 XDH (0.38) SMN1; SMN2SLC22A12XDHNPSR1RAF1
SCHEMBL689748 0.80 SMN1; SMN2 (0.54) SMN1; SMN2PPARGPPARAFABP4
SCHEMBL5161670 0.80 XDH (0.34) PPARGXDHNPSR1RAF1ALDH1A1
SCHEMBL5158351 0.78 SMN1; SMN2 (0.51) SMN1; SMN2PPARGPPARAALDH1A1MAPT
SCHEMBL5156106 0.78 SMN1; SMN2 (0.51) SMN1; SMN2PPARGPPARA
SCHEMBL12646435 0.78 SMN1; SMN2 (0.58) SMN1; SMN2PPARGPPARAALDH1A1MAPT
Hydrochloric Acid SCHEMBL5162319 0.77 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1
SCHEMBL4277047 0.74 SMN1; SMN2 (0.54) SMN1; SMN2PPARGPPARAALDH1A1
SCHEMBL12695052 0.74 CYP11B1 (0.51) SLC22A12XDHRAF1GPR119EPAS1
SCHEMBL6112971 0.73 SMN1; SMN2 (0.52) SMN1; SMN2PPARGPPARAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070135468-A1 PYRIDYLOXYALKANOIC ACID AMIDE DERIVATIVES USEFUL AS FUNGICIDES SYNGENTA LIMITED (GB) 2007-06-14 US disclosed
EP-1456174-B1 PYRIDYLOXYALKANOIC ACID AMIDE DERIVATIVES USEFUL AS FUNGICIDES SYNGENTA LTD (GB) 2007-02-14 EP disclosed
US-7166621-B2 Pyridyloxyalkanoic acid amide derivatives useful as fungicides SYNGENTA LIMITED (GB) 2007-01-23 US disclosed
US-20050065032-A1 Pyridyloxyalkanoic acid amide derivatives useful as fungicides SYNGENTA PARTICIPATIONS AG (CH) 2005-03-24 US disclosed
EP-1456174-A1 PYRIDYLOXYALKANOIC ACID AMIDE DERIVATIVES USEFUL AS FUNGICIDES Syngenta Limited (GB) 2004-09-15 EP disclosed
WO-2003048128-A1 PYRIDYLOXYALKANOIC ACID AMIDE DERIVATIVES USEFUL AS FUNGICIDES SYNGENTA LIMITED (GB) 2003-06-12 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 (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-20050065032-A1 Pyridyloxyalkanoic acid amide derivatives useful as fungicides DDT, C3AR1, CNPY3 SMN1; SMN2 4129/4885SLC22A12 2504/4885PPARG 3196/4885
US-20070135468-A1 PYRIDYLOXYALKANOIC ACID AMIDE DERIVATIVES USEFUL AS FUNGICIDES DDT, C3AR1, CBR3 SMN1; SMN2 4082/4885SLC22A12 2554/4885PPARG 2869/4885

“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.