SCHEMBL3175535

SCHEMBL3175535

COc1ccccc1COc1ncc(F)c(NS(=O)(=O)c2ccccc2)n1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 1/20 0.46
MAPK14 Q16539 1/20 0.46
HTR6 P50406 1/20 0.45
EDNRA P25101 7/20 0.44
EDNRB P24530 1/20 0.44
LMNA P02545 2/20 0.43
SLC40A1 Q9NP59 1/20 0.43
KDM4E B2RXH2 3/20 0.42
HSD17B10 Q99714 2/20 0.42
ALDH1A1 P00352 2/20 0.41
HPGD P15428 1/20 0.41
GAA P10253 1/20 0.41
CYP17A1 P05093 1/20 0.41

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
SCHEMBL13530731 0.82 AR (0.52) CCR4MAPK14LMNASLC40A1KDM4E
SCHEMBL13530726 0.81 AR (0.53) CCR4MAPK14LMNAKDM4EHSD17B10
SCHEMBL13529811 0.81 PARP14 (0.45) HSD17B10
SCHEMBL13530257 0.81 AURKA (0.42) LMNAKDM4EHSD17B10ALDH1A1GAA
SCHEMBL13530380 0.81 AURKA (0.48) KDM4EALDH1A1
SCHEMBL13530734 0.80 CYP1A2 (0.48) CCR4LMNASLC40A1ALDH1A1
SCHEMBL13530711 0.80 AR (0.51) CCR4MAPK14LMNASLC40A1KDM4E
SCHEMBL13530495 0.80 AURKA (0.41) LMNAKDM4EALDH1A1GAA
SCHEMBL13530567 0.80 L3MBTL1 (0.49) LMNAKDM4EHSD17B10ALDH1A1GAA
SCHEMBL13529420 0.79 MEN1 (0.49) LMNAKDM4EHSD17B10ALDH1A1

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 9 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-9204653-B2 5-fluoro pyrimidine derivatives DOW AGROSCIENCES LLC (US) 2015-12-08 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-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-20100022538-A1 5-FLUORO PYRIMIDINE DERIVATIVES DOW AGROSCIENCES LLC (US) 2010-01-28 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-20100022538-A1 5-FLUORO PYRIMIDINE DERIVATIVES DPYD, DPM1, DDX5 CCR4 1164/4885MAPK14 2523/4885HTR6 1849/4885
US-20140024616-A1 5-FLUORO PYRIMIDINE DERIVATIVES DPYD, DPM1, DDX5 CCR4 1164/4885MAPK14 2523/4885HTR6 1849/4885

“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.