SCHEMBL2530853

SCHEMBL2530853

COC(=O)c1cc(CO[Si](C)(C)C(C)(C)C)cc(NC(=O)OCc2ccccc2)c1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.47
KDM4E B2RXH2 2/20 0.46
MGLL Q99685 1/20 0.46
ALDH1A1 P00352 2/20 0.44
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
TSHR P16473 1/20 0.44
RAB9A P51151 1/20 0.44
ATM Q13315 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.44

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
SCHEMBL2533431 0.84 KDM4E (0.55) POLBKDM4EMGLLALDH1A1RAB9A
SCHEMBL30363610 0.83 POLB (0.52) POLBMGLLALDH1A1NPC1TP53
SCHEMBL2527618 0.83 KDM4E (0.53) POLBKDM4EMGLLALDH1A1RAB9A
SCHEMBL2529957 0.81 KDM4E (0.59) POLBKDM4EMGLLALDH1A1NPC1
SCHEMBL4871235 0.81 KDM4E (0.56) POLBKDM4EMGLLALDH1A1NPC1
SCHEMBL23090473 0.80 CA1 (0.44) POLBKDM4EALDH1A1TSHRLMNA
SCHEMBL31245947 0.80 CA12 (0.44) POLBKDM4EALDH1A1MAPTLMNA
SCHEMBL2533853 0.78 KDM4E (0.53) POLBKDM4EMGLLALDH1A1NPC1
SCHEMBL4878443 0.78 MGLL (0.57) POLBKDM4EMGLLALDH1A1RAB9A
SCHEMBL8320447 0.78 LOXL2 (0.56) KDM4EALDH1A1NPC1MAPTTSHR

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 5 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
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
US-20080132477-A1 Macrocyclic Compounds Useful as Bace Inhibitors NOVARTIS AG (CH) 2008-06-05 US 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 (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-20090029960-A1 MACROCYCLIC COMPOUNDS USEFUL AS BASE INHIBITORS SLC10A2, SLC10A1, ASAH2 POLB 542/4885KDM4E 3671/4885MGLL 3934/4885
US-20080132477-A1 Macrocyclic Compounds Useful as Bace Inhibitors BACE1, BACE2, APP POLB 356/4885KDM4E 3337/4885MGLL 2688/4885

“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.