SCHEMBL4847623

SCHEMBL4847623

CC(C)(C)OC(=O)N1C[C@H](O)CC1C(=O)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.53
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C19 P33261 1/20 0.48
FKBP1A P62942 5/20 0.47
KLK7 P49862 1/20 0.45
CTSL P07711 1/20 0.45
ABCB1 P08183 1/20 0.43
PARP1 P09874 1/20 0.42
HTRA1 Q92743 1/20 0.42
HPGD P15428 1/20 0.42
RIPK1 Q13546 1/20 0.41
PDK1 Q15118 1/20 0.41
PDK2 Q15119 1/20 0.41
PDK3 Q15120 1/20 0.41
PDK4 Q16654 1/20 0.41

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
SCHEMBL1783541 1.00 POLB (0.53) POLBCYP1A2CYP3A4CYP2C19FKBP1A
SCHEMBL9296386 1.00 POLB (0.53) POLBCYP1A2CYP3A4CYP2C19FKBP1A
SCHEMBL6783772 1.00 POLB (0.53) POLBCYP1A2CYP3A4CYP2C19FKBP1A
SCHEMBL17191527 1.00 POLB (0.53) POLBCYP1A2CYP3A4CYP2C19FKBP1A
SCHEMBL1448453 1.00 POLB (0.53) POLBCYP1A2CYP3A4CYP2C19FKBP1A
SCHEMBL1449334 1.00 POLB (0.53) POLBCYP1A2CYP3A4CYP2C19FKBP1A
SCHEMBL1150829 1.00 POLB (0.53) POLBCYP1A2CYP3A4CYP2C19FKBP1A
SCHEMBL2709081 1.00 POLB (0.53) POLBCYP1A2CYP3A4CYP2C19FKBP1A
SCHEMBL21441908 0.91 FKBP1A (0.47) POLBFKBP1AKLK7CTSLABCB1
SCHEMBL21285649 0.91 FKBP1A (0.47) POLBFKBP1AKLK7CTSLABCB1

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-7348346-B2 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) ABBOTT LABORATORIES (US) 2008-03-25 US disclosed
US-7342012-B2 Inhibitors of αLβ2 mediated cell adhesion MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-03-11 US disclosed
US-20050209249-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) ABBVIE INC. 2005-09-22 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 (2 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-20050209249-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) DPP4, DPP3, DPP7 POLB 3347/4885CYP1A2 2587/4885CYP3A4 446/4885
US-20050148602-A1 Inhibitors of alphaLbeta2 mediated cell adhesion ITGB2, ITGA2B, ITGB1 POLB 3054/4885CYP1A2 2919/4885CYP3A4 4533/4885

“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.