SCHEMBL2628546

SCHEMBL2628546

CC(C)(C)OC(=O)N[C@@H](Cc1ccnc(C(F)(F)F)n1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.48
ITGB3 P05106 1/20 0.46
ITGA2B P08514 1/20 0.46
PTPN1 P18031 2/20 0.45
PPARA Q07869 7/20 0.44
PPARG P37231 6/20 0.44
AAK1 Q2M2I8 3/20 0.43
ITGA4 P13612 1/20 0.41
ITGB7 P26010 1/20 0.41
CTSS P25774 4/20 0.40
CTSK P43235 3/20 0.40
PPARD Q03181 2/20 0.40
SCN9A Q15858 1/20 0.40
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40

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
SCHEMBL15304439 0.84 PTPN1 (0.46) ACEITGB3ITGA2BPTPN1PPARA
SCHEMBL6093529 0.79 ITGB3 (0.49) ACEITGB3ITGA2BPTPN1PPARA
SCHEMBL1743508 0.79 ACE (0.52) ACEITGB3ITGA2BPTPN1PPARA
SCHEMBL10163757 0.78 AAK1 (0.45) AAK1
SCHEMBL18248085 0.78 PPARA (0.53) ACEITGB3ITGA2BPTPN1PPARA
SCHEMBL20586627 0.78 PPARA (0.53) ACEITGB3ITGA2BPTPN1PPARA
SCHEMBL268002 0.77 ACE (0.56) ACEITGB3ITGA2BPTPN1PPARA
SCHEMBL215179 0.77 ACE (0.56) ACEITGB3ITGA2BPTPN1PPARA
SCHEMBL215178 0.77 ACE (0.56) ACEITGB3ITGA2BPTPN1PPARA
SCHEMBL29613833 0.77 ACE (0.56) ACEITGB3ITGA2BPTPN1PPARA

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 15 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-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-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-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-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-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
US-20070185144-A1 Beta-secretase modulators and methods of use AMGEN INC. (US) 2007-08-09 US disclosed
WO-2007061670-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 (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 ACE 58/4885ITGB3 2253/4885ITGA2B 2184/4885
US-20090275602-A1 Substituted hydroxyethyl amine compounds as beta-secretase modulators and methods of use BACE1, BACE2, APP ACE 272/4885ITGB3 2379/4885ITGA2B 2144/4885
US-20120220583-A1 SUBSTITUTED HYDROXYETHYL AMINE COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE BACE1, BACE2, APP ACE 294/4885ITGB3 2644/4885ITGA2B 2770/4885
US-20070185144-A1 Beta-secretase modulators and methods of use BACE1, BACE2, APP ACE 58/4885ITGB3 2253/4885ITGA2B 2184/4885

“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.