SCHEMBL126867

SCHEMBL126867

Nc1nc(C(F)(F)F)ccc1CO

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TKT P29401 1/20 0.49
P2RX7 Q99572 1/20 0.41
IRAK4 Q9NWZ3 2/20 0.33
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
MBOAT4 Q96T53 2/20 0.32
KDM4E B2RXH2 3/20 0.32
HSD17B10 Q99714 1/20 0.32
PDE4B Q07343 1/20 0.32
TRPV4 Q9HBA0 1/20 0.31
TLR7 Q9NYK1 1/20 0.31
MAT2A P31153 1/20 0.31
AHR P35869 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 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
SCHEMBL5263506 0.86 TKT (0.41) TKTP2RX7IRAK4
SCHEMBL16647833 0.81 TKT (0.46) TKTP2RX7HSP90AA1HSP90AB1MBOAT4
SCHEMBL3872590 0.78 PDE4B (0.37) TKTP2RX7IRAK4MBOAT4KDM4E
SCHEMBL28489701 0.78 TKT (0.35) TKTP2RX7IRAK4PDE4BTRPV4
SCHEMBL29464837 0.77 TRPV1 (0.37) TKTP2RX7IRAK4KDM4EPDE4B
SCHEMBL1742466 0.77 TRPV1 (0.37) TKTP2RX7IRAK4KDM4EPDE4B
SCHEMBL13697559 0.77 TRPV1 (0.37) TKTP2RX7IRAK4KDM4EPDE4B
SCHEMBL2866080 0.77 TKT (0.40) TKTP2RX7MBOAT4KDM4EPDE4B
SCHEMBL1474657 0.74 TRPV1 (0.42) TKTP2RX7KDM4EPDE4BALDH1A1
SCHEMBL4492952 0.74 TKT (0.36) TKTP2RX7MBOAT4KDM4EPDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8461083-B2 Herbicidal compounds SYNGENTA LIMITED (GB) 2013-06-11 US disclosed
EP-2265120-B1 HERBICIDAL COUMPOUNDS SYNGENTA LTD (GB) 2012-03-07 EP disclosed
US-20110021352-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2011-01-27 US disclosed
EP-2265120-A1 HERBICIDAL COUMPOUNDS Syngenta Limited (GB) 2010-12-29 EP disclosed
WO-2009115788-A1 HERBICIDAL COUMPOUNDS SYNGENTA LIMITED (GB) 2009-09-24 WO disclosed
US-20090137558-A1 Pyridine based compounds useful as intermediates for pharmaceutical or agricultural end-products PEAKDALE MOLECULAR LIMITED (GB) 2009-05-28 US disclosed
US-20090137558-A1 Pyridine based compounds useful as intermediates for pharmaceutical or agricultural end-products PEAKDALE MOLECULAR LIMITED (GB) 2009-05-28 US 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-20110021352-A1 HERBICIDAL COMPOUNDS RDX, NQO2, DDT TKT 3712/4885P2RX7 566/4885IRAK4 3378/4885
US-20090137558-A1 Pyridine based compounds useful as intermediates for pharmaceutical or agricultural end-products PNPO, CYP4B1, PDXK TKT 801/4885P2RX7 273/4885IRAK4 1900/4885

“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.