SCHEMBL3895073

SCHEMBL3895073

CC(C)(C)OC(=O)CO[NH]

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.34
CYP2D6 P10635 1/20 0.34
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
CA2 P00918 2/20 0.32
CA12 O43570 1/20 0.32
CA14 Q9ULX7 1/20 0.32
APLNR P35414 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
LMNA P02545 1/20 0.31
CA1 P00915 1/20 0.31
CA7 P43166 1/20 0.31
MTNR1A P48039 3/20 0.30
MTNR1B P49286 3/20 0.30
GAA P10253 1/20 0.30
PSEN1 P49768 1/20 0.30
PSEN2 P49810 1/20 0.30

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
SCHEMBL6688426 0.79 DGAT1 (0.37) DGAT1CYP2D6HDAC3HDAC1HDAC2
SCHEMBL494582 0.77 DGAT1 (0.41) DGAT1CYP2D6HDAC3HDAC1HDAC2
SCHEMBL5547017 0.77 DGAT1 (0.36) DGAT1CYP2D6HDAC3HDAC1HDAC2
SCHEMBL27639930 0.77 HDAC3 (0.38) DGAT1CYP2D6HDAC3HDAC1HDAC2
SCHEMBL27639927 0.76 CYP2D6 (0.33) DGAT1CYP2D6HDAC3HDAC1HDAC2
SCHEMBL13907508 0.75 APLNR (0.36) DGAT1CYP2D6HDAC3HDAC1HDAC2
SCHEMBL2173720 0.75 TSHR (0.42) DGAT1CYP2D6HDAC3HDAC1HDAC2
SCHEMBL16229307 0.75 DGAT1 (0.34) DGAT1CYP2D6HDAC3HDAC1HDAC2
SCHEMBL6935674 0.75 ALDH1A1 (0.38) DGAT1CYP2D6HDAC3HDAC1HDAC2
SCHEMBL13323676 0.75 DGAT1 (0.34) DGAT1CYP2D6HDAC3HDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7521396-B2 Substituted (thioxo)carbonylaminophenyluracils BAYER CROPSCIENCE AG (DE) 2009-04-21 US claimed
US-20060089262-A1 Substituted (thioxo)carbonylamino phenyl uraciles BAYER CROPSCIENCE AG (DE) 2006-04-27 US claimed
EP-1503994-A1 SUBSTITUTED (THIOXO)CARBONYLAMINO PHENYL URACILES Bayer CropScience AG (DE) 2005-02-09 EP claimed
WO-2003093244-A1 SUBSTITUTED (THIOXO)CARBONYLAMINO PHENYL URACILES BAYER CROPSCIENCE AG (DE) 2003-11-13 WO claimed
US-7521396-B2 Substituted (thioxo)carbonylaminophenyluracils BAYER CROPSCIENCE AG (DE) 2009-04-21 US disclosed
US-20060089262-A1 Substituted (thioxo)carbonylamino phenyl uraciles BAYER CROPSCIENCE AG (DE) 2006-04-27 US disclosed
EP-1503994-A1 SUBSTITUTED (THIOXO)CARBONYLAMINO PHENYL URACILES Bayer CropScience AG (DE) 2005-02-09 EP disclosed
WO-2003093244-A1 SUBSTITUTED (THIOXO)CARBONYLAMINO PHENYL URACILES BAYER CROPSCIENCE AG (DE) 2003-11-13 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 (1 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-20060089262-A1 Substituted (thioxo)carbonylamino phenyl uraciles NQO2, TYMP, DPYD DGAT1 3864/4885CYP2D6 203/4885HDAC3 3362/4885

“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.