SCHEMBL924847

SCHEMBL924847

CC(=O)N1CC(C(=O)O)Oc2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.53
POLB P06746 2/20 0.51
HSD17B3 P37058 1/20 0.50
SIRT3 Q9NTG7 1/20 0.49
HSP90AA1 P07900 1/20 0.48
PDK1 Q15118 1/20 0.48
CYP2C9 P11712 1/20 0.46
SIRT1 Q96EB6 2/20 0.46
BRD4 O60885 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
CYSLTR2 Q9NS75 1/20 0.44
CYSLTR1 Q9Y271 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ATM Q13315 1/20 0.43

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
SCHEMBL6979726 0.84 KMT2A (0.51) POLBSIRT3HSP90AA1PDK1CYP2C9
SCHEMBL924482 0.81 NOTUM (0.46) NOTUMPOLBHSD17B3HSP90AA1PDK1
SCHEMBL925260 0.81 SIRT1 (0.48) POLBSIRT3HSP90AA1PDK1CYP2C9
SCHEMBL7341140 0.81 MEN1 (0.59) NOTUMPOLBHSD17B3BRD4L3MBTL1
SCHEMBL24378124 0.81 SIRT1 (0.52) POLBSIRT3HSP90AA1PDK1CYP2C9
SCHEMBL29516196 0.81 SIRT1 (0.52) POLBSIRT3HSP90AA1PDK1CYP2C9
SCHEMBL6973740 0.80 POLB (0.54) NOTUMPOLBSIRT3KMT2AMEN1
SCHEMBL924383 0.80 SIRT1 (0.47) POLBSIRT3HSP90AA1PDK1CYP2C9
SCHEMBL15452699 0.77 POLB (0.60) POLBSIRT3HSP90AA1PDK1SIRT1
SCHEMBL3358224 0.76 CPB1 (0.47) NOTUMKMT2AMEN1

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 6 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
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 NOTUM 807/4885POLB 2226/4885HSD17B3 887/4885
US-20070185103-A1 Beta-secretase modulators and methods of use BACE1, BACE2, APP NOTUM 807/4885POLB 2226/4885HSD17B3 887/4885

“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.