SCHEMBL13530563

SCHEMBL13530563

Fc1cnc(OCC(F)(F)F)nc1NCCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 2/20 0.40
METAP2 P50579 1/20 0.40
APP P05067 4/20 0.40
BCHE P06276 2/20 0.40
ACHE P22303 2/20 0.40
LMNA P02545 3/20 0.39
HTT P42858 2/20 0.39
EGFR P00533 1/20 0.39
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 4/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
SLC29A1 Q99808 1/20 0.39
CCNC P24863 1/20 0.38
CDK8 P49336 1/20 0.38
PDE5A O76074 1/20 0.38
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 2/20 0.37

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
SCHEMBL13530564 0.86 METAP1 (0.44) METAP1METAP2APPBCHEACHE
SCHEMBL13530508 0.81 F2 (0.46) METAP1METAP2LMNAMAPK1L3MBTL1
SCHEMBL13530297 0.80 PIN1 (0.42) METAP1METAP2ALDH1A1KDM4ESIRT5
SCHEMBL13530642 0.80 F2 (0.44) METAP1METAP2LMNAHTTMAPK1
SCHEMBL13530612 0.80 BCHE (0.47) APPBCHELMNAHTTMAPK1
SCHEMBL13530603 0.79 PTK2 (0.41) LMNAL3MBTL1KMT2AMEN1TDP1
SCHEMBL13530148 0.78 RXRA (0.38) LMNAL3MBTL1KMT2AMEN1TDP1
SCHEMBL13530528 0.78 ALDH1A1 (0.38) METAP1METAP2APPBCHEACHE
SCHEMBL13530653 0.78 KDM4E (0.39) METAP1METAP2APPBCHEACHE
SCHEMBL13530538 0.76 APP (0.39) METAP1METAP2APPBCHEACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9204653-B2 5-fluoro pyrimidine derivatives DOW AGROSCIENCES LLC (US) 2015-12-08 US disclosed
US-9204653-B2 5-fluoro pyrimidine derivatives DOW AGROSCIENCES LLC (US) 2015-12-08 US disclosed
US-9174970-B2 5-fluoro pyrimidine derivatives DOW AGROSCIENCES LLC (US) 2015-11-03 US disclosed
US-9174970-B2 5-fluoro pyrimidine derivatives DOW AGROSCIENCES LLC (US) 2015-11-03 US disclosed
US-20140024616-A1 5-FLUORO PYRIMIDINE DERIVATIVES DOW AGROSCIENCES LLC (US) 2014-01-23 US disclosed
US-20140024616-A1 5-FLUORO PYRIMIDINE DERIVATIVES DOW AGROSCIENCES LLC (US) 2014-01-23 US disclosed
US-20100022538-A1 5-FLUORO PYRIMIDINE DERIVATIVES DOW AGROSCIENCES LLC (US) 2010-01-28 US disclosed
US-20100022538-A1 5-FLUORO PYRIMIDINE DERIVATIVES DOW AGROSCIENCES LLC (US) 2010-01-28 US disclosed
US-20090203647-A1 5-FLUORO PYRIMIDINE DERIVATIVES DOW AGROSCIENCES LLC (US) 2009-08-13 US disclosed
US-20090203647-A1 5-FLUORO PYRIMIDINE DERIVATIVES DOW AGROSCIENCES LLC (US) 2009-08-13 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 (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-20100022538-A1 5-FLUORO PYRIMIDINE DERIVATIVES DPYD, DPM1, DDX5 METAP1 940/4885METAP2 812/4885APP 4696/4885
US-20140024616-A1 5-FLUORO PYRIMIDINE DERIVATIVES DPYD, DPM1, DDX5 METAP1 940/4885METAP2 812/4885APP 4696/4885
US-20090203647-A1 5-FLUORO PYRIMIDINE DERIVATIVES DPYD, DPM1, DDX5 METAP1 940/4885METAP2 812/4885APP 4696/4885

“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.