SCHEMBL4871235

SCHEMBL4871235

COC(=O)c1cc(O)cc(NC(=O)OCc2ccccc2)c1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.56
LMNA P02545 1/20 0.56
HPGD P15428 1/20 0.56
MGLL Q99685 1/20 0.54
POLB P06746 1/20 0.53
RAB9A P51151 2/20 0.51
ALDH1A1 P00352 1/20 0.51
NPC1 O15118 1/20 0.50
ENPP2 Q13822 1/20 0.49

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
SCHEMBL2529957 0.90 KDM4E (0.59) KDM4ELMNAHPGDMGLLPOLB
SCHEMBL2533431 0.88 KDM4E (0.55) KDM4ELMNAHPGDMGLLPOLB
SCHEMBL4879003 0.88 MGLL (0.58) MGLLPOLBRAB9AALDH1A1NPC1
SCHEMBL2533853 0.87 KDM4E (0.53) KDM4ELMNAHPGDMGLLPOLB
SCHEMBL2527618 0.87 KDM4E (0.53) KDM4ELMNAHPGDMGLLPOLB
SCHEMBL9459601 0.86 MGLL (0.66) MGLLPOLBRAB9AALDH1A1NPC1
SCHEMBL655257 0.86 MGLL (0.66) MGLLPOLBRAB9AALDH1A1NPC1
SCHEMBL2529867 0.85 KDM4E (0.56) KDM4ELMNAHPGDMGLLPOLB
SCHEMBL2531101 0.85 KDM4E (0.51) KDM4ELMNAHPGDMGLLPOLB
SCHEMBL4878443 0.84 MGLL (0.57) KDM4ELMNAHPGDMGLLPOLB

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-20080132477-A1 Macrocyclic Compounds Useful as Bace Inhibitors NOVARTIS AG (CH) 2008-06-05 US disclosed
EP-1851208-A1 MACROCYCLIC COMPOUNDS USEFUL AS BACE INHIBITORS Novartis AG (CH) 2007-11-07 EP disclosed
WO-2006074950-A1 MACROCYCLIC COMPOUNDS USEFUL AS BACE INHIBITORS NOVARTIS AG (CH) 2006-07-20 WO disclosed
WO-2005025554-A2 DIPEPTIDYL PEPTIDASE IV INHIBITOR JAPAN TOBACCO INC. (JP) 2005-03-24 WO disclosed
WO-2005025554-A2 DIPEPTIDYL PEPTIDASE IV INHIBITOR JAPAN TOBACCO INC. (JP) 2005-03-24 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 (1 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-20080132477-A1 Macrocyclic Compounds Useful as Bace Inhibitors BACE1, BACE2, APP KDM4E 3337/4885LMNA 2173/4885HPGD 2739/4885

“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.