SCHEMBL1773884

SCHEMBL1773884

CCOC(=O)C(C(=O)OCC)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 9/20 0.46
LPL P06858 8/20 0.46
ESR2 Q92731 1/20 0.45
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA9 Q16790 2/20 0.42
MMP8 P22894 1/20 0.42
F11 P03951 3/20 0.41
P4HB P07237 1/20 0.40
F2 P00734 2/20 0.39
PRSS1 P07477 2/20 0.39
PRSS2 P07478 2/20 0.39
PRSS3 P35030 2/20 0.39
CA12 O43570 1/20 0.39
CA3 P07451 1/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39
CA5A P35218 1/20 0.39
CA7 P43166 1/20 0.39
CA14 Q9ULX7 1/20 0.39

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
SCHEMBL10572 0.87 LIPG (0.45) LIPGLPLESR2CA1CA2
SCHEMBL21309214 0.87 LIPG (0.45) LIPGLPLESR2CA1CA2
SCHEMBL10670 0.86 LIPG (0.44) LIPGLPLESR2CA1CA2
SCHEMBL11007 0.85 LIPG (0.43) LIPGLPLESR2CA1CA2
SCHEMBL12503163 0.83 LIPG (0.45) LIPGLPLESR2CA1CA2
SCHEMBL15778480 0.81 LIPG (0.42) LIPGLPLESR2CA1CA2
SCHEMBL15919077 0.79 LIPG (0.39) LIPGLPLESR2CA1CA2
SCHEMBL10173 0.79 LIPG (0.49) LIPGLPLESR2MMP8F11
SCHEMBL3686298 0.79 CA1 (0.53) LIPGLPLESR2CA1CA2
SCHEMBL271585 0.79 MMP8 (0.59) ESR2CA1CA2CA9MMP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110112103-A1 5-HYDROXYPYRIMIDINE-4-CARBOXAMIDE COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-05-12 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 (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-20110112103-A1 5-HYDROXYPYRIMIDINE-4-CARBOXAMIDE COMPOUND EPOR, CBR1, CBR3 LIPG 4009/4885LPL 3753/4885ESR2 93/4885

“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.