SCHEMBL5019465

SCHEMBL5019465

COC(=O)C[C@@H]1NC(=O)OC1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.41
BRD4 O60885 1/20 0.36
EGFR P00533 1/20 0.35
USP2 O75604 1/20 0.34
HSD17B10 Q99714 3/20 0.33
HTT P42858 1/20 0.33
TP53 P04637 1/20 0.33
JAK2 O60674 1/20 0.33
TSHR P16473 4/20 0.32
KMT2A Q03164 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MGAM O43451 1/20 0.30
SI P14410 1/20 0.30
MGAM2 Q2M2H8 1/20 0.30
MIF P14174 2/20 0.30

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
SCHEMBL10038782 0.83 TSHR (0.39) GAAHSD17B10HTTTP53TSHR
SCHEMBL14104694 0.83 TSHR (0.39) GAAHSD17B10HTTTP53TSHR
SCHEMBL4931482 0.81 PLA2G10 (0.34) GAAMIF
SCHEMBL28343216 0.77 ITGB1 (0.41) GAAHTTTSHRMAPT
SCHEMBL11957432 0.76 NPSR1 (0.35) GAAHSD17B10TSHRCYP1A2CYP3A4
SCHEMBL23319136 0.76 HSD17B10 (0.41) GAAHSD17B10
SCHEMBL13158875 0.76
SCHEMBL28346386 0.75 GAA (0.42) GAABRD4EGFRUSP2HSD17B10
SCHEMBL13612407 0.72
SCHEMBL762450 0.70

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
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
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 GAA 293/4885BRD4 4511/4885EGFR 2421/4885

“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.