SCHEMBL2530459

SCHEMBL2530459

CCOC(=O)C(O)=CC(=O)CC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.41
GLO1 Q04760 1/20 0.37
ALDH1A1 P00352 6/20 0.37
CYP2D6 P10635 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CA12 O43570 3/20 0.36
CA9 Q16790 3/20 0.36
CA1 P00915 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
EGLN1 Q9GZT9 1/20 0.35
HCAR2 Q8TDS4 1/20 0.34
TSHR P16473 1/20 0.32
LMNA P02545 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CA2 P00918 2/20 0.32
CYP2C9 P11712 1/20 0.32
ALOX15 P16050 1/20 0.31
MGAM O43451 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL2530458 1.00 NPSR1 (0.41) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL2530456 1.00 NPSR1 (0.41) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL4841394 0.80 NPSR1 (0.47) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL4841389 0.80 NPSR1 (0.47) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL3576293 0.77 NPSR1 (0.44) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL3576290 0.77 NPSR1 (0.44) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL9806023 0.76 NPSR1 (0.50) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL28134967 0.76 NPSR1 (0.50) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL27541734 0.76 NPSR1 (0.42) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL1234536 0.74 NPSR1 (0.41) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8039455-B2 Macrocyclic compounds useful as BACE inhibitors NOVARTIS AG (CH) 2011-10-18 US disclosed
EP-2190833-A1 AMINOBENZYL-SUBSTITUTED CYCLIC SULFONES USEFUL AS BACE INHIBITORS Novartis Ag (CH) 2010-06-02 EP disclosed
US-20090312370-A1 MACROCYCLIC COMPOUNDS USEFUL AS BACE INHIBITORS NOVARTIS AG (CH) 2009-12-17 US disclosed
EP-2046761-A2 MACROCYCLIC COMPOUNDS USEFUL AS BACE INHIBITORS Novartis AG (CH) 2009-04-15 EP disclosed
WO-2009024615-A1 AMINOBENZYL-SUBSTITUTED CYCLIC SULFONES USEFUL AS BACE INHIBITORS NOVARTIS AG (CH) 2009-02-26 WO disclosed
US-20090054427-A1 AMINOBENZYL-SUBSTITUTED CYCLIC SULFONES USEFUL AS BACE INHIBITORS BRIARD EMMANUELLE 2009-02-26 US disclosed
US-20090029960-A1 MACROCYCLIC COMPOUNDS USEFUL AS BASE INHIBITORS NOVARTIS AG (CH) 2009-01-29 US disclosed
EP-1968954-A1 MACROCYCLIC COMPOUNDS USEFUL AS BACE INHIBITORS Novartis AG (CH) 2008-09-17 EP disclosed
WO-2008009750-A2 MACROCYCLIC COMPOUNDS USEFUL AS BACE INHIBITORS NOVARTIS AG (CH) 2008-01-24 WO disclosed
WO-2007077004-A1 MACROCYCLIC COMPOUNDS USEFUL AS BACE INHIBITORS NOVARTIS AG (CH) 2007-07-12 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 (3 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-20090312370-A1 MACROCYCLIC COMPOUNDS USEFUL AS BACE INHIBITORS BACE2, BACE1, APP NPSR1 1992/4885GLO1 4153/4885ALDH1A1 3194/4885
US-20090029960-A1 MACROCYCLIC COMPOUNDS USEFUL AS BASE INHIBITORS SLC10A2, SLC10A1, ASAH2 NPSR1 3180/4885GLO1 4571/4885ALDH1A1 2955/4885
US-20090054427-A1 AMINOBENZYL-SUBSTITUTED CYCLIC SULFONES USEFUL AS BACE INHIBITORS BACE2, BACE1, APP NPSR1 621/4885GLO1 2423/4885ALDH1A1 2720/4885

“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.