SCHEMBL3904302

SCHEMBL3904302

CCCOC(=O)CO[N]C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.38
DGKA P23743 1/20 0.38
ALDH1A1 P00352 7/20 0.37
HCAR2 Q8TDS4 1/20 0.36
LMNA P02545 1/20 0.34
PRSS1 P07477 1/20 0.34
PRSS2 P07478 1/20 0.34
PRSS3 P35030 1/20 0.34
ESR1 P03372 1/20 0.33
CHRM1 P11229 1/20 0.33
TSHR P16473 1/20 0.33
SLC6A2 P23975 1/20 0.33
KDR P35968 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
GLA P06280 1/20 0.33
PPM1B O75688 1/20 0.33
PTPN1 P18031 1/20 0.33
PPP1CC P36873 1/20 0.33
RAD52 P43351 1/20 0.32
NPSR1 Q6W5P4 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
SCHEMBL6202635 0.81 DGKA (0.45) NAAADGKAALDH1A1HCAR2PRSS1
SCHEMBL9131570 0.79 GAA (0.43) NAAADGKAALDH1A1HCAR2LMNA
SCHEMBL14199950 0.77 NAAA (0.43) NAAADGKAALDH1A1HCAR2LMNA
SCHEMBL13319073 0.75 NAAA (0.41) NAAADGKAALDH1A1HCAR2LMNA
SCHEMBL29075 0.75
SCHEMBL1058897 0.75 NAAA (0.41) NAAADGKAALDH1A1HCAR2LMNA
SCHEMBL10904627 0.74 HCAR2 (0.34) NAAADGKAALDH1A1HCAR2TDP1
SCHEMBL10904625 0.74 HCAR2 (0.34) NAAADGKAALDH1A1HCAR2TDP1
SCHEMBL15998184 0.73
SCHEMBL7267855 0.73

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 NAAA 2680/4885DGKA 4467/4885ALDH1A1 196/4885

“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.