SCHEMBL5019462

SCHEMBL5019462

COC(=O)N1COC(=O)[C@@H]1CC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.44
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
TSHR P16473 2/20 0.37
MAPT P10636 4/20 0.32
ITGB3 P05106 1/20 0.32
ITGA2B P08514 1/20 0.32
THRB P10828 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HTT P42858 1/20 0.31
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 1/20 0.31
POLB P06746 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
MTNR1A P48039 1/20 0.30
MTNR1B P49286 1/20 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
SCHEMBL28398203 0.84 USP2 (0.41) USP2TSHRALDH1A1MEN1KMT2A
SCHEMBL4397835 0.82 USP2 (0.40) USP2TSHRITGB3ITGA2BHTT
SCHEMBL4397844 0.82 USP2 (0.40) USP2TSHRITGB3ITGA2BHTT
SCHEMBL29182379 0.77 TSHR (0.37) USP2PSEN1PSEN2APH1BNCSTN
SCHEMBL29182377 0.77 TSHR (0.37) USP2PSEN1PSEN2APH1BNCSTN
SCHEMBL9494373 0.76 USP2 (0.72) USP2PSEN1PSEN2APH1BNCSTN
SCHEMBL5172119 0.76 USP2 (0.72) USP2PSEN1PSEN2APH1BNCSTN
SCHEMBL29182394 0.76 TSHR (0.36) USP2PSEN1PSEN2APH1BNCSTN
SCHEMBL29182393 0.76 TSHR (0.36) USP2PSEN1PSEN2APH1BNCSTN
Hydrochloric Acid SCHEMBL5171901 0.76 USP2 (0.71) USP2PSEN1PSEN2APH1BNCSTN

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 4 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-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 USP2 3427/4885PSEN1 1509/4885PSEN2 1878/4885

“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.