SCHEMBL14136349

SCHEMBL14136349

O=C(O)[C@@H](N1C(=O)c2ccccc2C1=O)C12CC3CC(CC(O)(C3)C1)C2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 10/20 0.48
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 2/20 0.38
GAA P10253 1/20 0.38
CNR2 P34972 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 2/20 0.37
KDM4E B2RXH2 1/20 0.37
TP53 P04637 1/20 0.37
GLA P06280 1/20 0.37
POLB P06746 1/20 0.37
CYP2D6 P10635 1/20 0.37
HPGD P15428 1/20 0.37
ALOX12 P18054 1/20 0.37
NFKB1 P19838 1/20 0.37
APEX1 P27695 1/20 0.37
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37
DPP8 Q6V1X1 1/20 0.36
DPP9 Q86TI2 1/20 0.36

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
SCHEMBL14648462 1.00 DPP4 (0.48) DPP4L3MBTL1ALDH1A1GAACNR2
SCHEMBL14648460 0.89 DPP4 (0.47) DPP4L3MBTL1CNR2CYP3A4POLB
SCHEMBL4946433 0.87 ALDH1A1 (0.43) L3MBTL1ALDH1A1GAACNR2CYP1A2
SCHEMBL4951450 0.87 ALDH1A1 (0.43) L3MBTL1ALDH1A1GAACNR2CYP1A2
SCHEMBL31756476 0.85 ALDH1A1 (0.42) L3MBTL1ALDH1A1GAACNR2CYP1A2
SCHEMBL14136422 0.84 ALDH1A1 (0.36) DPP4L3MBTL1ALDH1A1GAACYP1A2
SCHEMBL14136318 0.79 ALDH1A1 (0.39) L3MBTL1ALDH1A1GAACYP1A2CYP3A4
SCHEMBL14648461 0.78 DPP4 (0.63) DPP4CYP3A4DPP8DPP9
SCHEMBL14648459 0.75 EPHX2 (0.41) L3MBTL1ALDH1A1GAAPOLBALOX12
SCHEMBL30285916 0.74 EPHX2 (0.38) L3MBTL1ALDH1A1GAACNR2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9150511-B2 Process for preparing saxagliptin and its novel intermediates useful in the synthesis thereof APICORE US LLC (US) 2015-10-06 US disclosed
US-9150511-B2 Process for preparing saxagliptin and its novel intermediates useful in the synthesis thereof APICORE US LLC (US) 2015-10-06 US disclosed
US-20140235870-A1 PROCESS FOR PREPARING SAXAGLIPTIN AND ITS NOVEL INTERMEDIATES USEFUL IN THE SYNTHESIS THEREOF APICORE, LLC (US) 2014-08-21 US disclosed
US-20140235870-A1 PROCESS FOR PREPARING SAXAGLIPTIN AND ITS NOVEL INTERMEDIATES USEFUL IN THE SYNTHESIS THEREOF APICORE, LLC (US) 2014-08-21 US disclosed
US-8748631-B2 Process for preparing saxagliptin and its novel intermediates useful in the synthesis thereof APICORE, LLC (US) 2014-06-10 US disclosed
US-8748631-B2 Process for preparing saxagliptin and its novel intermediates useful in the synthesis thereof APICORE, LLC (US) 2014-06-10 US disclosed
US-20130023671-A1 PROCESS FOR PREPARING SAXAGLIPTIN AND ITS NOVEL INTERMEDIATES USEFUL IN THE SYNTHESIS THEREOF APICORE, LLC (US) 2013-01-24 US disclosed
US-20130023671-A1 PROCESS FOR PREPARING SAXAGLIPTIN AND ITS NOVEL INTERMEDIATES USEFUL IN THE SYNTHESIS THEREOF APICORE, LLC (US) 2013-01-24 US disclosed
WO-2012162507-A1 PROCESS FOR PREPARING SAXAGLIPTIN AND ITS NOVEL INTERMEDIATES USEFUL IN THE SYNTHESIS THEREOF APICORE, LLC (US) 2012-11-29 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 (2 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-20130023671-A1 PROCESS FOR PREPARING SAXAGLIPTIN AND ITS NOVEL INTERMEDIATES USEFUL IN THE SYNTHESIS THEREOF DPP4, DPP3, DPP8 DPP4 1/4885L3MBTL1 4067/4885ALDH1A1 1533/4885
US-20140235870-A1 PROCESS FOR PREPARING SAXAGLIPTIN AND ITS NOVEL INTERMEDIATES USEFUL IN THE SYNTHESIS THEREOF DPP4, DPP3, DPP8 DPP4 1/4885L3MBTL1 4067/4885ALDH1A1 1533/4885

“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.