SCHEMBL2531101

SCHEMBL2531101

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

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.51
MGLL Q99685 1/20 0.50
POLB P06746 1/20 0.49
LMNA P02545 1/20 0.48
HPGD P15428 1/20 0.48
ALDH1A1 P00352 1/20 0.47
RAB9A P51151 2/20 0.47
NPC1 O15118 1/20 0.46

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 0.85 KDM4E (0.59) KDM4EMGLLPOLBLMNAHPGD
SCHEMBL4871235 0.85 KDM4E (0.56) KDM4EMGLLPOLBLMNAHPGD
SCHEMBL2533431 0.84 KDM4E (0.55) KDM4EMGLLPOLBLMNAHPGD
SCHEMBL2527618 0.83 KDM4E (0.53) KDM4EMGLLPOLBLMNAHPGD
SCHEMBL2533853 0.83 KDM4E (0.53) KDM4EMGLLPOLBLMNAHPGD
SCHEMBL29956794 0.81 MGLL (0.56) MGLLPOLBALDH1A1RAB9ANPC1
SCHEMBL29956428 0.81
SCHEMBL2529867 0.81 KDM4E (0.56) KDM4EMGLLPOLBLMNAHPGD
SCHEMBL4878443 0.80 MGLL (0.57) KDM4EMGLLPOLBLMNAHPGD
SCHEMBL5220709 0.80 KDM4E (0.56) KDM4EMGLLPOLBLMNAHPGD

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 4 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
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 (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-20090029960-A1 MACROCYCLIC COMPOUNDS USEFUL AS BASE INHIBITORS SLC10A2, SLC10A1, ASAH2 KDM4E 3671/4885MGLL 3934/4885POLB 542/4885

“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.