SCHEMBL10056837

SCHEMBL10056837

NC(Cc1ccccc1)C(=O)N1CCCC1C(=O)N[C@@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)C1)Cc1cc(F)c(F)cc1F

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 20/20 0.58
▸ DPP8 Q6V1X1 10/20 0.58
▸ DPP7 Q9UHL4 3/20 0.58
▸ DPP9 Q86TI2 2/20 0.58
▸ ACE P12821 1/20 0.58
▸ HTR2A P28223 1/20 0.58
▸ FAP Q12884 1/20 0.58

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
SCHEMBL14982932 0.95 DPP4 (0.53) DPP4DPP8DPP7DPP9ACE
SCHEMBL2162213 0.89 DPP4 (0.60) DPP4DPP8DPP7DPP9ACE
SCHEMBL10057496 0.89 DPP4 (0.60) DPP4DPP8DPP7DPP9ACE
SCHEMBL14985846 0.88 DPP4 (0.55) DPP4DPP8DPP7DPP9ACE
SCHEMBL573033 0.88 DPP4 (0.55) DPP4DPP8DPP7DPP9ACE
Sitagliptin Fenilalanil SCHEMBL10057466 0.87 DPP4 (0.68) DPP4DPP8DPP7DPP9ACE
Sitagliptin Fenilalanil SCHEMBL2555445 0.87 DPP4 (0.68) DPP4DPP8DPP7DPP9ACE
Sitagliptin Fenilalanil SCHEMBL572080 0.86 DPP4 (0.68) DPP4DPP8DPP7DPP9ACE
SCHEMBL15471558 0.85 DPP4 (0.57) DPP4DPP8DPP7DPP9ACE
SCHEMBL15471565 0.85 DPP4 (0.57) DPP4DPP8DPP7DPP9ACE

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
US-20130137852-A1 NOVEL COMPOUNDS AS DPP-IV INHIBITORS AND PROCESS FOR PREPARATION THEREOF Cadila Corporate Campus (IN) 2013-05-30 — — US disclosed
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 DPP4 1/4885DPP8 5/4885DPP7 2/4885

“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.

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