SCHEMBL4119418

SCHEMBL4119418

NC(=O)[C@@H](N/C(=C/C(=O)N1CCn2c(nnc2C(F)(F)F)C1)Cc1cc(F)c(F)cc1F)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 20/20 0.52
▸ DPP8 Q6V1X1 10/20 0.52
▸ DPP7 Q9UHL4 3/20 0.52
▸ DPP9 Q86TI2 2/20 0.52
▸ ACE P12821 1/20 0.52
▸ HTR2A P28223 1/20 0.52
▸ FAP Q12884 1/20 0.52

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
SCHEMBL15341657 1.00 DPP4 (0.52) DPP4DPP8DPP7DPP9ACE
SCHEMBL4119422 1.00 DPP4 (0.52) DPP4DPP8DPP7DPP9ACE
SCHEMBL4119416 1.00 DPP4 (0.52) DPP4DPP8DPP7DPP9ACE
SCHEMBL4119419 1.00 DPP4 (0.52) DPP4DPP8DPP7DPP9ACE
SCHEMBL3103833 0.90 DPP4 (0.52) DPP4DPP8DPP7DPP9ACE
SCHEMBL21409310 0.90 DPP4 (0.52) DPP4DPP8DPP7DPP9ACE
SCHEMBL3103820 0.90 DPP4 (0.52) DPP4DPP8DPP7DPP9ACE
SCHEMBL3103830 0.90 DPP4 (0.52) DPP4DPP8DPP7DPP9ACE
SCHEMBL15848812 0.89 DPP4 (0.42) DPP4DPP8DPP7DPP9ACE
SCHEMBL17210364 0.83 DPP4 (0.49) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090192326-A1 Preparation of sitagliptin intermediate TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2009-07-30 — — US disclosed
WO-2009064476-A1 PREPARATION OF SITAGLIPTIN INTERMEDIATE TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2009-05-22 — — 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-20090192326-A1 Preparation of sitagliptin intermediate 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.

Send feedback