SCHEMBL5223701

SCHEMBL5223701

N[C@@H](CC(=O)N1C[C@@H](F)C[C@H]1C(=O)NCc1ccc(CC(=O)O)cc1)Cc1ccccc1F

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 19/20 0.50
DPP7 Q9UHL4 2/20 0.47
FAP Q12884 4/20 0.46
DPP8 Q6V1X1 3/20 0.46
DPP9 Q86TI2 3/20 0.46
KCNH2 Q12809 1/20 0.45
CFD P00746 1/20 0.45

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
SCHEMBL5223707 1.00 DPP4 (0.50) DPP4DPP7FAPDPP8DPP9
SCHEMBL4886578 0.85 TDP1 (0.55) DPP4DPP7FAPDPP8DPP9
SCHEMBL4886585 0.85 TDP1 (0.55) DPP4DPP7FAPDPP8DPP9
SCHEMBL1072034 0.85 TDP1 (0.55) DPP4DPP7FAPDPP8DPP9
SCHEMBL5223869 0.83 CFD (0.42) CFD
SCHEMBL5223880 0.83 CFD (0.42) CFD
Trifluoroacetic Acid SCHEMBL4895383 0.82 TDP1 (0.51) DPP4FAPDPP9KCNH2
SCHEMBL6242373 0.79 TDP1 (0.59) DPP4DPP7FAPDPP8DPP9
SCHEMBL14102467 0.78 DPP4 (0.64) DPP4DPP7FAPDPP8DPP9
SCHEMBL4913502 0.76 DPP4 (0.53) DPP4DPP7DPP8DPP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1406872-B1 DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OF DIABETES MERCK & CO INC (US) 2007-12-19 EP disclosed
EP-1406872-B1 DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OF DIABETES MERCK & CO INC (US) 2007-12-19 EP disclosed
US-7098239-B2 Dipeptidyl peptidase inhibitors for the treatment of diabetes MERCK & CO., INC (US) 2006-08-29 US disclosed
US-20040176428-A1 Dipeptidyl peptidase inhibitors for the treatment of diabetes MERCK SHARP & DOHME CORP. 2004-09-09 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-20040176428-A1 Dipeptidyl peptidase inhibitors for the treatment of diabetes DPP4, DPP3, DPP9 DPP4 1/4885DPP7 4/4885FAP 16/4885

“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.