SCHEMBL2078469

SCHEMBL2078469

COC(=O)[C@H](Cc1cc2ccccc2o1)C(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 2/20 0.47
TAS1R3 Q7RTX0 3/20 0.44
TAS1R1 Q7RTX1 3/20 0.44
PSMB8 P28062 1/20 0.44
PIN1 Q13526 1/20 0.43
KDR P35968 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
PPARG P37231 1/20 0.41
PPARD Q03181 1/20 0.41
PPARA Q07869 1/20 0.41
MAOB P27338 4/20 0.40
AGXT P21549 1/20 0.40
FCER2 P06734 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.39

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
SCHEMBL2078468 1.00 PSMB5 (0.47) PSMB5TAS1R3TAS1R1PSMB8PIN1
SCHEMBL4969559 0.90 PIN1 (0.47) PSMB5TAS1R3TAS1R1PSMB8PIN1
SCHEMBL2628545 0.76 PIN1 (0.60) PSMB5PSMB8PIN1PPARGPPARD
SCHEMBL8579944 0.76 PIN1 (0.60) PSMB5PSMB8PIN1PPARGPPARD
SCHEMBL6940252 0.76 TAS1R3 (0.43) PSMB5TAS1R3TAS1R1PSMB8PIN1
SCHEMBL6940257 0.76 TAS1R3 (0.43) PSMB5TAS1R3TAS1R1PSMB8PIN1
SCHEMBL17202990 0.74 ITGA4 (0.54) ALDH1A1PPARGPPARDPPARA
SCHEMBL3512251 0.74 KDM4A (0.54) KDM4EALDH1A1HPGDMAOBAGXT
SCHEMBL7064485 0.72 AGXT (0.44) PSMB5KDM4EALDH1A1HPGDMAOB
SCHEMBL7106929 0.71 HDAC3 (0.44) PSMB5KDM4EALDH1A1HPGDMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8552181-B2 Substituted hydroxyethyl amine compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2013-10-08 US disclosed
US-20120220583-A1 SUBSTITUTED HYDROXYETHYL AMINE COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2012-08-30 US disclosed
US-8163909-B2 Substituted hydroxyethyl amine compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2012-04-24 US disclosed
US-7973047-B2 Beta-Secretase modulators and methods of use AMGEN INC. (US) 2011-07-05 US disclosed
US-20100222338-A1 BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. 2010-09-02 US disclosed
US-7745484-B2 Beta-secretase modulators and methods of use AMGEN INC. (US) 2010-06-29 US disclosed
US-20090275602-A1 Substituted hydroxyethyl amine compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2009-11-05 US disclosed
US-20070185144-A1 Beta-secretase modulators and methods of use AMGEN INC. (US) 2007-08-09 US 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 (4 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-20100222338-A1 BETA-SECRETASE MODULATORS AND METHODS OF USE BACE1, BACE2, APP PSMB5 124/4885TAS1R3 2681/4885TAS1R1 2678/4885
US-20090275602-A1 Substituted hydroxyethyl amine compounds as beta-secretase modulators and methods of use BACE1, BACE2, APP PSMB5 99/4885TAS1R3 2463/4885TAS1R1 2518/4885
US-20120220583-A1 SUBSTITUTED HYDROXYETHYL AMINE COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE BACE1, BACE2, APP PSMB5 75/4885TAS1R3 2101/4885TAS1R1 2032/4885
US-20070185144-A1 Beta-secretase modulators and methods of use BACE1, BACE2, APP PSMB5 124/4885TAS1R3 2681/4885TAS1R1 2678/4885

“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.