SCHEMBL744345

SCHEMBL744345

CC(c1cc(F)c(F)cc1F)[C@@H](N)CC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.39
FFAR1 O14842 1/20 0.36
MME P08473 1/20 0.33
EIF4A3 P38919 1/20 0.32
PTGS1 P23219 3/20 0.31
PTGS2 P35354 3/20 0.31
SLC1A3 P43003 1/20 0.31
SLC1A2 P43004 1/20 0.31
SLC1A1 P43005 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL12971465 1.00 DPP4 (0.39) DPP4FFAR1MMEEIF4A3PTGS1
SCHEMBL743043 1.00 DPP4 (0.39) DPP4FFAR1MMEEIF4A3PTGS1
SCHEMBL743074 1.00 DPP4 (0.39) DPP4FFAR1MMEEIF4A3PTGS1
SCHEMBL12971168 0.81 FFAR1 (0.40) FFAR1MMEEIF4A3PTGS1PTGS2
SCHEMBL28650065 0.80 DPP4 (0.34) DPP4
SCHEMBL28048561 0.80 FFAR1 (0.33) DPP4FFAR1SLC1A3SLC1A2SLC1A1
SCHEMBL28304220 0.76 DPP4 (0.33) DPP4FFAR1SLC1A3SLC1A2SLC1A1
SCHEMBL3795621 0.74 DPP4 (0.34) DPP4FFAR1
SCHEMBL3453796 0.74 DPP4 (0.37) DPP4FFAR1
SCHEMBL28033444 0.73 FFAR1 (0.38) DPP4FFAR1

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-8846916-B2 Sitagliptin synthesis GENERICS [UK] LIMITED (GB) 2014-09-30 US disclosed
US-20120108598-A1 SITAGLIPTIN SYNTHESIS MYLAN INDIA PRIVATE LIMITED (IN) 2012-05-03 US disclosed
EP-2430025-A1 SITAGLIPTIN SYNTHESIS Generics [UK] Limited (GB) 2012-03-21 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-20120108598-A1 SITAGLIPTIN SYNTHESIS DPP4, DPP7, DPP3 DPP4 1/4885FFAR1 931/4885MME 32/4885

“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.