SCHEMBL6032240

SCHEMBL6032240

CC(C)(C)OC(=O)[C@H](Cc1cc(F)c(F)cc1Br)C(N)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 4/20 0.39
SLC1A1 P43005 6/20 0.35
AAK1 Q2M2I8 1/20 0.35
SLC7A5 Q01650 1/20 0.34
SLC1A3 P43003 4/20 0.33
SLC1A2 P43004 4/20 0.33
MTNR1A P48039 2/20 0.33
MTNR1B P49286 2/20 0.33
APP P05067 1/20 0.31
PTPN1 P18031 1/20 0.31

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
SCHEMBL28055243 0.89 DPP4 (0.49) DPP4SLC1A1SLC7A5SLC1A3SLC1A2
SCHEMBL11221173 0.89 DPP4 (0.49) DPP4SLC1A1SLC7A5SLC1A3SLC1A2
SCHEMBL27899116 0.89 DPP4 (0.49) DPP4SLC1A1SLC7A5SLC1A3SLC1A2
SCHEMBL24187349 0.83 DPP4 (0.43) DPP4SLC1A1AAK1SLC7A5SLC1A3
SCHEMBL31618904 0.83 DPP4 (0.43) DPP4SLC1A1AAK1SLC7A5SLC1A3
Cadaverine Tartrate SCHEMBL28961395 0.82 DPP4 (0.39) DPP4SLC1A1AAK1SLC7A5SLC1A3
Cadaverine Tartrate SCHEMBL28961238 0.82 DPP4 (0.39) DPP4SLC1A1AAK1SLC7A5SLC1A3
SCHEMBL27670609 0.80 CTSS (0.47) SLC1A1AAK1SLC7A5SLC1A3SLC1A2
SCHEMBL28761485 0.76 AAK1 (0.41) DPP4AAK1
SCHEMBL27694464 0.74 SLC1A1 (0.48) SLC1A1SLC7A5SLC1A3SLC1A2PTPN1

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 DPP4 1/4885SLC1A1 635/4885AAK1 2261/4885

“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.