SCHEMBL923798

SCHEMBL923798

CC(C)Nc1cc(C(=O)O)cn(C2CCCC2)c1=O

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.39
GAA P10253 2/20 0.39
ALDH1A1 P00352 4/20 0.38
HPGD P15428 2/20 0.38
KDM4E B2RXH2 2/20 0.38
GSK3B P49841 1/20 0.38
HCAR3 P49019 4/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL925968 0.87 ALDH1A1 (0.43) HSD17B10GAAALDH1A1HPGDKDM4E
SCHEMBL924275 0.86 GAA (0.40) HSD17B10GAAALDH1A1HPGDKDM4E
SCHEMBL924750 0.77 HCAR3 (0.42) HCAR3
SCHEMBL926212 0.76 HSD17B10 (0.43) HSD17B10GAAALDH1A1HPGDKDM4E
SCHEMBL925194 0.75 HSD17B10 (0.40) HSD17B10GAAALDH1A1HPGDKDM4E
SCHEMBL925096 0.72 KDM4E (0.41) HSD17B10GAAALDH1A1HPGDKDM4E
SCHEMBL924196 0.72 ALDH1A1 (0.54) HSD17B10GAAALDH1A1HPGDKDM4E
SCHEMBL25352885 0.72 HSD17B10 (0.48) HSD17B10GAAALDH1A1KDM4EHCAR3
SCHEMBL27612290 0.72 NOTUM (0.39) HSD17B10GAAALDH1A1HPGDKDM4E
SCHEMBL20687637 0.69 HTR1F (0.35) GSK3B

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 HSD17B10 1966/4885GAA 44/4885ALDH1A1 2087/4885
US-20070185103-A1 Beta-secretase modulators and methods of use BACE1, BACE2, APP HSD17B10 1966/4885GAA 44/4885ALDH1A1 2087/4885

“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.