SCHEMBL5162728

SCHEMBL5162728

CC#CC(C)(C)NC(=O)C(CC)Oc1cncc(C(C)=O)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.34
CYP1A2 P05177 2/20 0.34
CYP11B1 P15538 2/20 0.34
CYP11B2 P19099 2/20 0.34
XDH P47989 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
PPARG P37231 1/20 0.33
ALDH1A1 P00352 2/20 0.33
CYP2C19 P33261 1/20 0.33
MKNK1 Q9BUB5 1/20 0.32
MKNK2 Q9HBH9 1/20 0.32
TSHR P16473 2/20 0.31
HSD17B10 Q99714 2/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
DGAT2 Q96PD7 1/20 0.31
SIRT2 Q8IXJ6 1/20 0.31
SIRT1 Q96EB6 1/20 0.31
SIRT3 Q9NTG7 1/20 0.31
MAPT P10636 2/20 0.31

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
SCHEMBL5156930 0.86 CYP2C19 (0.33) CYP3A4CYP1A2NPSR1ALDH1A1CYP2C19
SCHEMBL5161670 0.85 XDH (0.34) CYP3A4XDHNPSR1PPARGALDH1A1
SCHEMBL5159277 0.85 CYP1A2 (0.40) CYP3A4CYP1A2NPSR1ALDH1A1CYP2C19
SCHEMBL5160452 0.85 PKM (0.35) PKM
SCHEMBL5158193 0.83 CHRNB2 (0.33) NPSR1ALDH1A1TSHRHSD17B10LMNA
SCHEMBL5161150 0.82 CYP2C19 (0.37) CYP3A4CYP1A2XDHNPSR1ALDH1A1
SCHEMBL5162469 0.82 NPSR1 (0.32) NPSR1ALDH1A1TSHRHSD17B10LMNA
SCHEMBL5160907 0.81 GRM5 (0.39) CYP3A4CYP1A2CYP11B1CYP11B2NPSR1
SCHEMBL5161595 0.81 NPSR1 (0.33) NPSR1ALDH1A1MAPTMEN1KMT2A
SCHEMBL11528939 0.79 NPSR1 (0.38) NPSR1ALDH1A1TSHRHSD17B10LMNA

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 CYP3A4 316/4885CYP1A2 334/4885CYP11B1 1622/4885
US-20070135468-A1 PYRIDYLOXYALKANOIC ACID AMIDE DERIVATIVES USEFUL AS FUNGICIDES DDT, C3AR1, CBR3 CYP3A4 250/4885CYP1A2 216/4885CYP11B1 1278/4885

“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.