SCHEMBL5220123

SCHEMBL5220123

COc1ccc(CSC(C)(C)[C@H](NC(=O)O)C(=O)N2CCC[C@H]2C#N)cc1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 18/20 0.61
DPP8 Q6V1X1 11/20 0.61
DPP7 Q9UHL4 9/20 0.61
DPP9 Q86TI2 8/20 0.61
FAP Q12884 5/20 0.61
PREP P48147 2/20 0.47

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
SCHEMBL5220070 0.85 DPP4 (0.71) DPP4DPP8DPP7DPP9FAP
SCHEMBL5219023 0.85 DPP4 (0.52) DPP4DPP8DPP7DPP9FAP
Hydrochloric Acid SCHEMBL5214896 0.84 DPP4 (0.70) DPP4DPP8DPP7DPP9FAP
SCHEMBL3150545 0.84 DPP4 (0.75) DPP4DPP8DPP7DPP9FAP
SCHEMBL6828636 0.84 DPP4 (0.75) DPP4DPP8DPP7DPP9FAP
SCHEMBL5220063 0.83 DPP4 (0.75) DPP4DPP8DPP7DPP9FAP
SCHEMBL5221846 0.75 DPP4 (0.43) DPP4DPP8DPP7DPP9FAP
SCHEMBL3155999 0.75 DPP4 (0.67) DPP4DPP8DPP7DPP9FAP
SCHEMBL3155789 0.75 DPP4 (0.63) DPP4DPP8DPP7DPP9FAP
SCHEMBL3160933 0.74 DPP4 (0.64) DPP4DPP8DPP7DPP9FAP

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-1399420-B1 PYRROLIDINES AS DIPEPTIDYL PEPTIDASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2007-12-05 EP disclosed
US-7196201-B2 Pyrrolidines as dipeptidyl peptidase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2007-03-27 US disclosed
US-20040167341-A1 Pyrrolidines as dipeptidyl peptidase inhibitors SMITHKLINE BEECHAM CORPORATION 2004-08-26 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-20040167341-A1 Pyrrolidines as dipeptidyl peptidase inhibitors DPP4, DPP3, DPP7 DPP4 1/4885DPP8 5/4885DPP7 3/4885

“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.