SCHEMBL4841744

SCHEMBL4841744

CCOC(=O)C1CN(C(=O)OC(C)(C)C)CCN1C(=O)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.52
PDK2 Q15119 1/20 0.52
PDK3 Q15120 1/20 0.52
PDK4 Q16654 1/20 0.52
PARP1 P09874 1/20 0.50
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
TSHR P16473 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
JAK2 O60674 1/20 0.45
JAK1 P23458 1/20 0.45
GPR119 Q8TDV5 1/20 0.45
KLK7 P49862 1/20 0.44
CACNA1A O00555 1/20 0.44
CACNA2D1 P54289 1/20 0.44
CACNB1 Q02641 1/20 0.44

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
SCHEMBL6335353 0.96 PARP1 (0.54) PDK1PDK2PDK3PDK4PARP1
SCHEMBL4676650 0.95 PDK1 (0.54) PDK1PDK2PDK3PDK4PARP1
SCHEMBL30289331 0.92 PDK1 (0.54) PDK1PDK2PDK3PDK4PARP1
SCHEMBL3779343 0.92 PDK1 (0.54) PDK1PDK2PDK3PDK4PARP1
SCHEMBL17153137 0.91 PARP1 (0.53) PDK1PDK2PDK3PDK4PARP1
SCHEMBL19120482 0.91 PDK1 (0.52) PDK1PDK2PDK3PDK4MEN1
SCHEMBL15298945 0.90 PDK1 (0.53) PDK1PDK2PDK3PDK4PARP1
SCHEMBL1288345 0.90 PDK1 (0.53) PDK1PDK2PDK3PDK4PARP1
SCHEMBL6487540 0.90 PDK1 (0.53) PDK1PDK2PDK3PDK4PARP1
SCHEMBL2442588 0.89 PDK1 (0.55) PDK1PDK2PDK3PDK4PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7342012-B2 Inhibitors of αLβ2 mediated cell adhesion MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-03-11 US disclosed
US-20050148602-A1 Inhibitors of alphaLbeta2 mediated cell adhesion TANABE SEIYAKU CO., LTD. 2005-07-07 US disclosed
US-6897225-B1 Inhibitors of αLβ2 mediated cell adhesion TANABE SEIYAKU CO., LTD. (JP) 2005-05-24 US disclosed
EP-1307455-B1 INHIBITORS OF ALPHA-L BETA-2 MEDIATED CELL ADHESION TANABE SEIYAKU CO (JP) 2005-04-06 EP disclosed
EP-1307455-A2 INHIBITORS OF ALPHA-L BETA-2 MEDIATED CELL ADHESION TANABE SEIYAKU CO., LTD. (JP) 2003-05-07 EP disclosed
WO-2001030781-A2 INHIBITORS OF αLβ2 MEDIATED CELL ADHESION TANABE SEIYAKU CO., LTD. (JP) 2001-05-03 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-20050148602-A1 Inhibitors of alphaLbeta2 mediated cell adhesion ITGB2, ITGA2B, ITGB1 PDK1 4706/4885PDK2 4205/4885PDK3 4790/4885

“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.