SCHEMBL924565

SCHEMBL924565

C=CC[C@H](C(=O)O)C(=O)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
CYP2C19 P33261 2/20 0.49
HCAR2 Q8TDS4 1/20 0.47
TDP1 Q9NUW8 2/20 0.47
KMT2A Q03164 2/20 0.47
MAPK1 P28482 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A3 Q01959 1/20 0.47
LMNA P02545 3/20 0.45
CTSB P07858 1/20 0.44
TGM2 P21980 1/20 0.43
CA12 O43570 1/20 0.42
AKR1B10 O60218 1/20 0.42
AKR1B1 P15121 1/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42
CA5A P35218 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42

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
SCHEMBL924568 1.00 ALDH1A1 (0.49) ALDH1A1CYP2C19HCAR2TDP1KMT2A
SCHEMBL19105307 0.95 ALDH1A1 (0.50) ALDH1A1CYP2C19HCAR2TDP1KMT2A
SCHEMBL29458365 0.89 ALDH1A1 (0.53) ALDH1A1CYP2C19HCAR2TDP1KMT2A
SCHEMBL22633098 0.89 ALDH1A1 (0.53) ALDH1A1CYP2C19HCAR2TDP1KMT2A
SCHEMBL28168087 0.84 ALDH1A1 (0.46) ALDH1A1HCAR2TDP1KMT2AMAPK1
SCHEMBL8847801 0.82 ALDH1A1 (0.51) ALDH1A1CYP2C19HCAR2TDP1KMT2A
SCHEMBL27533978 0.82 ALDH1A1 (0.47) ALDH1A1CYP2C19HCAR2TDP1KMT2A
SCHEMBL8847794 0.82 ALDH1A1 (0.51) ALDH1A1CYP2C19HCAR2TDP1KMT2A
SCHEMBL8257115 0.82 ALDH1A1 (0.47) ALDH1A1CYP2C19HCAR2TDP1KMT2A
SCHEMBL8848072 0.82 ALDH1A1 (0.51) ALDH1A1CYP2C19HCAR2TDP1KMT2A

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 ALDH1A1 2087/4885CYP2C19 2592/4885HCAR2 2068/4885
US-20070185103-A1 Beta-secretase modulators and methods of use BACE1, BACE2, APP ALDH1A1 2087/4885CYP2C19 2592/4885HCAR2 2068/4885

“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.