SCHEMBL6032244

SCHEMBL6032244

CC(C)(C)OC(=O)C(CC(=O)O)C(N)c1cc(F)c(F)cc1Br

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 2/20 0.35
DPP4 P27487 1/20 0.33
SLC1A3 P43003 1/20 0.33
SLC1A2 P43004 1/20 0.33
SLC1A1 P43005 1/20 0.33
APP P05067 1/20 0.31
SLC7A5 Q01650 1/20 0.30

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
SCHEMBL28055241 0.89 DPP4 (0.37) AAK1DPP4APPSLC7A5
SCHEMBL11221171 0.89 DPP4 (0.37) AAK1DPP4APPSLC7A5
SCHEMBL6246072 0.80 CYP2C19 (0.39) AAK1
SCHEMBL17513198 0.76 FFAR1 (0.41) AAK1APP
SCHEMBL3453796 0.73 DPP4 (0.37) AAK1DPP4APPSLC7A5
SCHEMBL27773550 0.73 GABBR2 (0.42) AAK1DPP4SLC7A5
SCHEMBL6032240 0.73 DPP4 (0.39) AAK1DPP4SLC1A3SLC1A2SLC1A1
SCHEMBL24187349 0.70 DPP4 (0.43) AAK1DPP4SLC1A3SLC1A2SLC1A1
SCHEMBL31618904 0.70 DPP4 (0.43) AAK1DPP4SLC1A3SLC1A2SLC1A1
SCHEMBL29943608 0.70 TDP1 (0.44) AAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7101871-B2 Beta-amino heterocyclic dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes MERCK & CO., INC. (US) 2006-09-05 US disclosed
US-20040254167-A1 Beta-amino heterocyclic dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes MERCK SHARP & DOHME CORP. 2004-12-16 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-20040254167-A1 Beta-amino heterocyclic dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes DPP4, DPP3, DPP7 AAK1 2261/4885DPP4 1/4885SLC1A3 702/4885

“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.