SCHEMBL925973

SCHEMBL925973

CCOC(=O)C1CN(C(=O)OC(C)(C)C)c2ccccc2O1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.49
KMT2A Q03164 10/20 0.48
MEN1 O00255 6/20 0.48
ALDH1A1 P00352 4/20 0.46
SIRT2 Q8IXJ6 1/20 0.45
SIRT1 Q96EB6 1/20 0.45
SIRT3 Q9NTG7 1/20 0.42
ATM Q13315 1/20 0.42
GAA P10253 1/20 0.41

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
SCHEMBL3355915 0.86 POLB (0.63) POLBKMT2AMEN1ALDH1A1
SCHEMBL30929571 0.86 POLB (0.48) POLBKMT2AMEN1ALDH1A1
SCHEMBL3353116 0.85 ALDH1A1 (0.51) POLBKMT2AMEN1ALDH1A1SIRT3
SCHEMBL924383 0.84 SIRT1 (0.47) POLBKMT2AMEN1SIRT2SIRT1
SCHEMBL6973740 0.84 POLB (0.54) POLBKMT2AMEN1ALDH1A1SIRT3
SCHEMBL30929508 0.84 POLB (0.41) POLBKMT2AMEN1ALDH1A1
SCHEMBL3203157 0.84 TDP1 (0.40) POLBKMT2AMEN1ALDH1A1
SCHEMBL3358747 0.83 POLB (0.47) POLBKMT2AMEN1ALDH1A1SIRT2
SCHEMBL8564040 0.83 P2RX4 (0.49) POLBKMT2AMEN1ALDH1A1SIRT1
SCHEMBL8564035 0.83 P2RX4 (0.49) POLBKMT2AMEN1ALDH1A1SIRT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163766-B2 Beta-secretase modulators and methods of use AMGEN INC. (US) 2012-04-24 US disclosed
US-20110118250-A1 BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2011-05-19 US disclosed
US-7872009-B2 Beta-Secretase modulators and methods of use AMGEN INC. (US) 2011-01-18 US disclosed
WO-2010068881-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-06-17 WO disclosed
EP-1954693-A1 BETA-SECRETASE MODULATORS AND METHODS OF USE Amgen Inc. (US) 2008-08-13 EP disclosed
US-20070185103-A1 Beta-secretase modulators and methods of use AMGEN INC. 2007-08-09 US disclosed
WO-2007062007-A1 BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2007-05-31 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-20110118250-A1 BETA-SECRETASE MODULATORS AND METHODS OF USE BACE1, BACE2, APP POLB 2226/4885KMT2A 3113/4885MEN1 3013/4885
US-20070185103-A1 Beta-secretase modulators and methods of use BACE1, BACE2, APP POLB 2226/4885KMT2A 3113/4885MEN1 3013/4885

“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.