SCHEMBL5367737

SCHEMBL5367737

CC(C)(C)OC(=O)c1cc(O)c(F)c(F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 7/20 0.44
POLB P06746 2/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
NFKB1 P19838 1/20 0.43
XDH P47989 1/20 0.43
GFER P55789 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
FUT7 Q11130 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
CES2 O00748 1/20 0.39
CES1 P23141 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
SCHEMBL662974 0.89 CES2 (0.50) SERPINE1POLBKDM4ELMNAGAA
SCHEMBL663524 0.84 SERPINE1 (0.43) SERPINE1POLBKDM4ELMNAGAA
SCHEMBL39049 0.83 POLB (0.61) SERPINE1POLBKDM4ELMNAGAA
SCHEMBL31587898 0.79 CA12 (0.46) KDM4ELMNAXDHCA12CA1
SCHEMBL3744003 0.79 CA9 (0.46) SERPINE1POLBKDM4ELMNAGAA
SCHEMBL23413724 0.79 CA12 (0.38) SERPINE1POLBKDM4ELMNAGAA
SCHEMBL13243342 0.78 SERPINE1 (0.44) SERPINE1POLBKDM4ELMNAGAA
SCHEMBL20199381 0.77 SERPINE1 (0.49) SERPINE1POLBKDM4ELMNAGAA
SCHEMBL21956939 0.77 LMNA (0.39) SERPINE1POLBKDM4ELMNAGAA
SCHEMBL31354768 0.77 CYP2C9 (0.35) SERPINE1POLBKDM4ELMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7205409-B2 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) ABBOTT LABORATORIES (US) 2007-04-17 US claimed
US-20050131019-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) ABBVIE INC. 2005-06-16 US claimed
US-7205409-B2 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) ABBOTT LABORATORIES (US) 2007-04-17 US disclosed
US-20050131019-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) ABBVIE INC. 2005-06-16 US disclosed
WO-2005023762-A1 PYRROLIDINE-2-CARBONITRILE DERIVATIVES AND THEIR USE AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-IV (DPP-IV) ABBOTT LABORATORIES (US) 2005-03-17 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-20050131019-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) DPP4, DPP3, DPP7 SERPINE1 195/4885POLB 3760/4885KDM4E 1550/4885

“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.