SCHEMBL5161150

SCHEMBL5161150

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

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.37
CYP2C9 P11712 1/20 0.37
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
HTT P42858 2/20 0.34
HSD17B10 Q99714 2/20 0.34
GFER P55789 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 1/20 0.34
HCAR2 Q8TDS4 2/20 0.33
POLB P06746 1/20 0.33
P2RX3 P56373 4/20 0.33
XDH P47989 1/20 0.33
TSHR P16473 2/20 0.32
LMNA P02545 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32

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
SCHEMBL5160907 0.90 GRM5 (0.39) CYP2C19HSD17B10NPSR1ALDH1A1P2RX3
SCHEMBL5158788 0.87 MEN1 (0.33) MEN1KMT2ANPSR1ALDH1A1
SCHEMBL5158887 0.86
SCHEMBL5160991 0.86 CYP1A2 (0.39) CYP2C19MEN1KMT2ANPSR1ALDH1A1
SCHEMBL5162728 0.82 CYP3A4 (0.34) CYP2C19MEN1KMT2AHTTHSD17B10
SCHEMBL5158793 0.78
SCHEMBL5156930 0.78 CYP2C19 (0.33) CYP2C19CYP2C9NPSR1ALDH1A1CYP1A2
SCHEMBL5156483 0.77 CYP1A2 (0.38) CYP2C19NPSR1ALDH1A1KDM4EL3MBTL1
SCHEMBL5156290 0.77 P2RX3 (0.32) P2RX3
SCHEMBL5161670 0.77 XDH (0.34) MEN1KMT2AHTTHSD17B10NPSR1

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 CYP2C19 842/4885CYP2C9 244/4885MEN1 1481/4885
US-20070135468-A1 PYRIDYLOXYALKANOIC ACID AMIDE DERIVATIVES USEFUL AS FUNGICIDES DDT, C3AR1, CBR3 CYP2C19 658/4885CYP2C9 189/4885MEN1 1319/4885

“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.