SCHEMBL3705644

SCHEMBL3705644

COC(=O)N[C@@H](CC(=O)O)Cc1cc(F)c(F)cc1F

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 14/20 0.44
PIN1 Q13526 1/20 0.39
MMEL1 Q495T6 2/20 0.38
MME P08473 4/20 0.36
CYP3A4 P08684 1/20 0.34

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
SCHEMBL17227455 0.89 DPP4 (0.44) DPP4
SCHEMBL699084 0.88 DPP4 (0.39) DPP4PIN1MMEL1MME
SCHEMBL699083 0.88 DPP4 (0.39) DPP4PIN1MMEL1MME
SCHEMBL28759095 0.87 DPP4 (0.43) DPP4PIN1
SCHEMBL29364846 0.87 DPP4 (0.43) DPP4PIN1
SCHEMBL342707 0.87 DPP4 (0.43) DPP4PIN1
SCHEMBL342708 0.87 DPP4 (0.43) DPP4PIN1
SCHEMBL463397 0.85 DPP4 (0.38) DPP4PIN1MMEL1MMECYP3A4
SCHEMBL25075296 0.85 DPP4 (0.40) DPP4PIN1MMEL1MMECYP3A4
SCHEMBL15103376 0.85 DPP4 (0.40) DPP4PIN1MMEL1MMECYP3A4

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8524936-B2 Manufacturing process for sitagliptin from L-aspartic acid SOUKUP MILAN (US) 2013-09-03 US disclosed
US-8524936-B2 Manufacturing process for sitagliptin from L-aspartic acid SOUKUP MILAN (US) 2013-09-03 US disclosed
US-8524936-B2 Manufacturing process for sitagliptin from L-aspartic acid SOUKUP MILAN (US) 2013-09-03 US disclosed
WO-2012156888-A1 MANUFACTURING PROCESS FOR SITAGLIPTIN FROM L-ASPARTIC ACID DRUG PROCESS LICENSING ASS., LLC (US) 2012-11-22 WO disclosed
US-20120123144-A1 Manufacturing process for sitagliptin from L-aspartic acid Drug Process Licensing Associates, LLC (US) 2012-05-17 US 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-20120123144-A1 Manufacturing process for sitagliptin from L-aspartic acid DPP4, DPP9, DPP7 DPP4 1/4885PIN1 2077/4885MMEL1 779/4885

“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.