SCHEMBL5368178

SCHEMBL5368178

CC(C)OC(=O)c1ccc(Cl)c(O)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 7/20 0.72
CA1 P00915 7/20 0.72
CA2 P00918 7/20 0.72
CA7 P43166 7/20 0.72
CA9 Q16790 7/20 0.72
CA14 Q9ULX7 7/20 0.72
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
PDCD1 Q15116 1/20 0.49
CD274 Q9NZQ7 1/20 0.49
PTPN11 Q06124 2/20 0.48
CYP4F2 P78329 1/20 0.46
CYP4A11 Q02928 1/20 0.46
PTPN1 P18031 1/20 0.45
HSP90AA1 P07900 1/20 0.45
SLC6A2 P23975 1/20 0.44
SLC6A3 Q01959 1/20 0.44
XDH P47989 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
SCHEMBL6513548 0.94 CA12 (0.64) CA12CA1CA2CA7CA9
SCHEMBL6513550 0.90 CA12 (0.59) CA12CA1CA2CA7CA9
SCHEMBL39248 0.84 CA12 (1.00) CA12CA1CA2CA7CA9
SCHEMBL12211369 0.83 CA12 (0.57) CA12CA1CA2CA7CA9
SCHEMBL26131529 0.81 CA12 (0.56) CA12CA1CA2CA7CA9
SCHEMBL5374614 0.81 CA12 (0.56) CA12CA1CA2CA7CA9
SCHEMBL560243 0.80 CA1 (0.69) CA12CA1CA2CA7CA9
SCHEMBL15659299 0.80 CA12 (0.54) CA12CA1CA2CA7CA9
SCHEMBL10494061 0.79 CA12 (0.57) CA12CA1CA2CA7CA9
SCHEMBL14660086 0.79 CA12 (0.57) CA12CA1CA2CA7CA9

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 3 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 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 CA12 2859/4885CA1 2745/4885CA2 1485/4885

“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.