SCHEMBL4955364

SCHEMBL4955364

COc1ccc(S(=O)(=O)NCC2CCCN2C(=O)CC(Cc2ccccc2F)NC(=O)OC(C)(C)C)cc1OC

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 19/20 0.56
DPP8 Q6V1X1 5/20 0.56
DPP9 Q86TI2 5/20 0.56
DPP7 Q9UHL4 5/20 0.56
CYP2D6 P10635 2/20 0.41
KLK5 Q9Y337 1/20 0.40

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
SCHEMBL8290099 1.00 DPP4 (0.56) DPP4DPP8DPP9DPP7CYP2D6
SCHEMBL4952155 0.90 DPP4 (0.69) DPP4DPP8DPP9DPP7CYP2D6
SCHEMBL14282783 0.90 DPP4 (0.69) DPP4DPP8DPP9DPP7CYP2D6
SCHEMBL8289046 0.90 DPP4 (0.55) DPP4DPP8DPP9DPP7CYP2D6
SCHEMBL4957414 0.85 DPP4 (0.77) DPP4DPP8DPP9DPP7CYP2D6
SCHEMBL8289006 0.85 DPP4 (0.77) DPP4DPP8DPP9DPP7CYP2D6
SCHEMBL7852591 0.81 DPP4 (0.49) DPP4DPP8DPP9DPP7KLK5
SCHEMBL8373795 0.81 DPP4 (0.49) DPP4DPP8DPP9DPP7KLK5
SCHEMBL8290132 0.81 DPP4 (0.51) DPP4DPP8DPP9DPP7KLK5
SCHEMBL14421707 0.81 DPP4 (0.50) DPP4DPP8DPP9DPP7KLK5

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-20080027035-A1 Dpp-Iv Inhibitors GRAFFINITY PHARMACEUTICALS AG (DE) 2008-01-31 US disclosed
EP-1613304-B1 DPP-IV INHIBITORS SANTHERA PHARMACEUTICALS CH (CH) 2007-09-12 EP 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-20080027035-A1 Dpp-Iv Inhibitors DPP4, DPP7, DPP3 DPP4 1/4885DPP8 5/4885DPP9 4/4885

“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.