SCHEMBL4703877

SCHEMBL4703877

CC(C)(C)NC(=O)O[C@H](C(=O)N1CCSC1)[C@H]1CC[C@H](O)CC1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 16/20 0.41
DPP7 Q9UHL4 14/20 0.40
KCNH2 Q12809 3/20 0.40
PREP P48147 4/20 0.37
DPP8 Q6V1X1 4/20 0.35
DPP9 Q86TI2 4/20 0.35

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
SCHEMBL4703880 1.00 DPP4 (0.41) DPP4DPP7KCNH2PREPDPP8
SCHEMBL28192422 0.79 DPP4 (0.37) DPP4DPP7KCNH2PREP
SCHEMBL28650978 0.79 DPP4 (0.37) DPP4DPP7KCNH2PREP
SCHEMBL28655579 0.79 DPP4 (0.37) DPP4DPP7KCNH2PREP
SCHEMBL4701002 0.75 PREP (0.53) DPP4DPP7KCNH2PREPDPP8
SCHEMBL4703882 0.75 PREP (0.53) DPP4DPP7KCNH2PREPDPP8
SCHEMBL4700999 0.75 PREP (0.53) DPP4DPP7KCNH2PREPDPP8
SCHEMBL4071682 0.72 PREP (0.49) DPP4PREP
SCHEMBL4071686 0.72 PREP (0.49) DPP4PREP
SCHEMBL4698101 0.70 DPP4 (0.78) DPP4DPP7KCNH2DPP8DPP9

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
EP-1385508-B1 DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK & CO INC (US) 2008-05-21 EP disclosed
US-7026316-B2 Dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes MERCK & CO., INC. (US) 2006-04-11 US disclosed
US-20040106656-A1 Dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes MERCK SHARP & DOHME CORP. 2004-06-03 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-20040106656-A1 Dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes DPP4, DPP3, DPP7 DPP4 1/4885DPP7 3/4885KCNH2 3499/4885

“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.