SCHEMBL10057901

SCHEMBL10057901

CCC(C)C(N)C(=O)NC(C)C(C)=O

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.44
ACE P12821 1/20 0.44
CPA1 P15085 1/20 0.44
ACE2 Q9BYF1 1/20 0.44
DPP4 P27487 13/20 0.40
DPP8 Q6V1X1 9/20 0.40
DPP9 Q86TI2 9/20 0.40
TERT O14746 1/20 0.37
DPP7 Q9UHL4 8/20 0.36
FAP Q12884 1/20 0.36

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
SCHEMBL120715 1.00 MME (0.44) MMEACECPA1ACE2DPP4
SCHEMBL8723093 0.85 MME (0.62) MMEACECPA1ACE2DPP4
SCHEMBL8723097 0.85 MME (0.62) MMEACECPA1ACE2DPP4
SCHEMBL15663557 0.85 MME (0.62) MMEACECPA1ACE2DPP4
SCHEMBL18822411 0.83 DPP4 (0.42) DPP4DPP8DPP9DPP7
SCHEMBL15700570 0.82 ALDH1A1 (0.46) MMEACECPA1ACE2DPP4
SCHEMBL29886647 0.81 MME (0.59) MMEACECPA1ACE2DPP4
SCHEMBL27343659 0.81 BIRC2 (0.42) MMEACECPA1ACE2DPP4
SCHEMBL16667894 0.81 BIRC2 (0.42) MMEACECPA1ACE2DPP4
SCHEMBL15381259 0.80 DPP4 (0.40) MMEACECPA1ACE2DPP4

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-20130137852-A1 NOVEL COMPOUNDS AS DPP-IV INHIBITORS AND PROCESS FOR PREPARATION THEREOF Cadila Corporate Campus (IN) 2013-05-30 US disclosed
WO-2012017391-A2 NOVEL COMPOUNDS AS DPP-IV INHIBITORS AND PROCESS FOR PREPARATION THEREOF CADILA PHARMACEUTICALS LIMITED (IN) 2012-02-09 WO 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-20130137852-A1 NOVEL COMPOUNDS AS DPP-IV INHIBITORS AND PROCESS FOR PREPARATION THEREOF DPP4, DPP7, DPP3 MME 65/4885ACE 17/4885CPA1 159/4885

“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.