SCHEMBL1554613

SCHEMBL1554613

CCN(C(=O)O)c1cc(B2OC(C)(C)C(C)(C)O2)ccn1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 7/20 0.39
LPL P06858 6/20 0.39
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
HIF1A Q16665 3/20 0.36
F2 P00734 1/20 0.36
F11 P03951 1/20 0.36
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
DGAT1 O75907 1/20 0.36
PDGFRB P09619 1/20 0.35
KDR P35968 1/20 0.35
P4HB P07237 1/20 0.34
ROCK1 Q13464 1/20 0.34
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL21610948 0.85 F2 (0.41) LIPGLPLGSK3AGSK3BHIF1A
SCHEMBL26728111 0.85 BACE1 (0.42) LIPGLPLGSK3AGSK3BHIF1A
SCHEMBL16699249 0.84 RXRA (0.35) LIPGLPLGSK3AGSK3BHIF1A
SCHEMBL3476749 0.84 LIPG (0.36) LIPGLPLGSK3AGSK3BHIF1A
SCHEMBL1554719 0.81 DGAT1 (0.37) LIPGLPLGSK3AGSK3BHIF1A
SCHEMBL17439308 0.78 DGAT1 (0.34) LIPGLPLGSK3AGSK3BHIF1A
SCHEMBL2267172 0.77 LIPG (0.46) LIPGLPLHIF1AF2F11
SCHEMBL14804515 0.77 LPL (0.39) LIPGLPLF11
Hydrochloric Acid SCHEMBL16109917 0.76 LPL (0.38) LIPGLPLF11
SCHEMBL21070780 0.75 BACE1 (0.42) GSK3AGSK3BHIF1AF2F11

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
EP-2784072-A1 3-PHENYL-4-PYRI(MI)DINYL-1H-PYRAZOLES AND THEIR USE AS FUNGICIDES Bayer CropScience AG (DE) 2014-10-01 EP disclosed
EP-2784073-A1 3-PHENYL-4-PYRI(MI)DINYL-1H-PYRAZOLES AND THEIR USE AS FUNGICIDES Bayer CropScience AG (DE) 2014-10-01 EP disclosed
EP-2784070-A1 3-PHENYL-4-PYRI(MI)DINYL-1H-PYRAZOLES AND THEIR USE AS FUNGICIDES Bayer CropScience AG (DE) 2014-10-01 EP disclosed
EP-2784071-A1 3-PHENYL-4-PYRI(MI)DINYL-1H-PYRAZOLES AND THEIR USE AS FUNGICIDES Bayer CropScience AG (DE) 2014-10-01 EP disclosed
EP-2486031-A2 Phenylpyri(mi)dinylpyrazoles and their use as fungicides Bayer CropScience AG (DE) 2012-08-15 EP disclosed
US-20110183978-A1 Phenylpyri(mi)dinylazoles BAYER CROPSCIENCE AG (DE) 2011-07-28 US disclosed
WO-2011042389-A2 PHENYLPYRI(MI)DINYLAZOLES BAYER CROPSCIENCE AG (DE) 2011-04-14 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-20110183978-A1 Phenylpyri(mi)dinylazoles PIR, PIN4, PNN LIPG 3954/4885LPL 3083/4885GSK3A 3424/4885

“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.