SCHEMBL2914271

SCHEMBL2914271

O=C(O)N1C[C@@H](OCc2ccccc2)[C@H](O)[C@H]1COCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43
AGTR2 P50052 2/20 0.41
PDE4D Q08499 1/20 0.40
ABHD6 Q9BV23 6/20 0.39
NR1D1 P20393 1/20 0.39
DAGLA Q9Y4D2 3/20 0.39
ATM Q13315 1/20 0.38
CTSL P07711 2/20 0.38
CTSB P07858 2/20 0.38
CTSK P43235 2/20 0.38
CTSV O60911 1/20 0.38
CTSS P25774 1/20 0.38
CTSC P53634 1/20 0.38
CTSF Q9UBX1 1/20 0.38
GBA1 P04062 2/20 0.38
UGCG Q16739 2/20 0.38
GBA2 Q9HCG7 2/20 0.38

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
SCHEMBL1776891 0.89 KLK7 (0.44) BCHEACHEAGTR2
SCHEMBL1775754 0.89 KLK7 (0.44) BCHEACHEAGTR2
SCHEMBL1775755 0.82 AGTR2 (0.43) AGTR2ABHD6DAGLA
SCHEMBL441959 0.79 BCHE (0.42) BCHEACHEAGTR2PDE4DABHD6
SCHEMBL31103697 0.78 BCHE (0.47) BCHEACHEAGTR2PDE4DNR1D1
SCHEMBL7036254 0.78 BCHE (0.47) BCHEACHEAGTR2PDE4DNR1D1
SCHEMBL5465300 0.77 AGTR2 (0.40) BCHEACHEAGTR2ABHD6NR1D1
SCHEMBL18587328 0.76 AGTR2 (0.47) AGTR2ABHD6NR1D1DAGLACTSL
SCHEMBL7031703 0.75 BCHE (0.44) BCHEACHEAGTR2NR1D1
SCHEMBL11445442 0.75 BCHE (0.47) BCHEACHEAGTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1589023-B1 OLIGOSACCHARIDE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2010-08-25 EP disclosed
US-7632930-B2 Oligosaccharide derivative SANKYO COMPANY LIMITED (JP) 2009-12-15 US disclosed
US-20080194495-A1 Oligosaccharide Derivative HONDA TAKESHI 2008-08-14 US disclosed
US-7361744-B2 Oligosaccharide derivative SANKYO COMPANY LIMITED (JP) 2008-04-22 US disclosed
US-20060025350-A1 Oligosaccharide derivative SANKYO COMPANY, LIMITED (JP) 2006-02-02 US disclosed
EP-1589023-A1 OLIGOSACCHARIDE DERIVATIVE Sankyo Company, Limited (JP) 2005-10-26 EP 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-20060025350-A1 Oligosaccharide derivative MAN1B1, FUT6, MAN2A1 BCHE 2370/4885ACHE 3247/4885AGTR2 1125/4885
US-20080194495-A1 Oligosaccharide Derivative MAN1B1, FUT6, MAN2A1 BCHE 2370/4885ACHE 3247/4885AGTR2 1125/4885

“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.