SCHEMBL4946433

SCHEMBL4946433

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
GAA P10253 1/20 0.43
POLB P06746 4/20 0.42
KDM4E B2RXH2 2/20 0.42
HSD17B10 Q99714 2/20 0.42
TP53 P04637 1/20 0.42
GLA P06280 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
HPGD P15428 1/20 0.42
ALOX12 P18054 1/20 0.42
NFKB1 P19838 1/20 0.42
APEX1 P27695 1/20 0.42
MAPK1 P28482 1/20 0.42
CYP1A2 P05177 1/20 0.42
LMNA P02545 1/20 0.41
EPHX2 P34913 2/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL4951450 1.00 ALDH1A1 (0.43) ALDH1A1GAAPOLBKDM4EHSD17B10
SCHEMBL31756476 0.99 ALDH1A1 (0.42) ALDH1A1GAAPOLBKDM4EHSD17B10
SCHEMBL14648459 0.87 EPHX2 (0.41) ALDH1A1GAAPOLBALOX12LMNA
SCHEMBL14136349 0.87 DPP4 (0.48) ALDH1A1GAAPOLBKDM4EHSD17B10
SCHEMBL14648462 0.87 DPP4 (0.48) ALDH1A1GAAPOLBKDM4EHSD17B10
SCHEMBL30285916 0.86 EPHX2 (0.38) ALDH1A1GAAPOLBKDM4EHSD17B10
SCHEMBL14136422 0.81 ALDH1A1 (0.36) ALDH1A1GAAPOLBKDM4EHSD17B10
SCHEMBL14136318 0.80 ALDH1A1 (0.39) ALDH1A1GAAPOLBKDM4EHSD17B10
SCHEMBL14175279 0.78 EPHX2 (0.40) ALDH1A1GAAPOLBKDM4EHSD17B10
SCHEMBL14175420 0.78 EPHX2 (0.40) ALDH1A1GAAPOLBKDM4EHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2963029-A1 Cyclic derivatives of epoxyisoprostanoids as therapeutic agents ETH Zurich (CH) 2016-01-06 EP 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-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
US-7385064-B1 Catalysts for use in enantioselective synthesis THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK 2008-06-10 US disclosed
US-7385064-B1 Catalysts for use in enantioselective synthesis THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK 2008-06-10 US disclosed
US-7385064-B1 Catalysts for use in enantioselective synthesis THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK 2008-06-10 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 (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 ALDH1A1 1533/4885GAA 180/4885POLB 4663/4885
US-20140235870-A1 PROCESS FOR PREPARING SAXAGLIPTIN AND ITS NOVEL INTERMEDIATES USEFUL IN THE SYNTHESIS THEREOF DPP4, DPP3, DPP8 ALDH1A1 1533/4885GAA 180/4885POLB 4663/4885

“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.