SCHEMBL2178555

SCHEMBL2178555

CC(=O)N[C@@H](Cc1cccc(F)c1)[C@@H](C=O)O[Si](C)(C)C(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 12/20 0.45
CTSD P07339 10/20 0.42
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42
ACACB O00763 1/20 0.39
JAK2 O60674 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
ATM Q13315 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 1/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
PPARG P37231 1/20 0.38
NCOA2 Q15596 1/20 0.38
NCOA1 Q15788 1/20 0.38
NCOA3 Q9Y6Q9 1/20 0.38

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
SCHEMBL3572220 0.92 CTSS (0.42) BACE1CTSDCTSSCTSKJAK2
SCHEMBL924795 0.79 ATM (0.39) BACE1CTSKATM
SCHEMBL924796 0.79 ATM (0.39) BACE1CTSKATM
SCHEMBL2175743 0.78 SLC1A1 (0.37) CTSSCTSKJAK2ALDH1A1TP53
SCHEMBL9659473 0.78 ATM (0.51) CTSSCTSKALDH1A1TP53HPGD
SCHEMBL3577732 0.76 CTSS (0.42) BACE1CTSDCTSSCTSKJAK2
SCHEMBL4352424 0.76 KDM4E (0.35) BACE1ALDH1A1TSHR
SCHEMBL4356102 0.75 PTGES (0.34) BACE1
SCHEMBL4356095 0.75 PTGES (0.34) BACE1
SCHEMBL2175747 0.75 CTSS (0.42) BACE1CTSDCTSSCTSKJAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (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-20100222338-A1 BETA-SECRETASE MODULATORS AND METHODS OF USE BACE1, BACE2, APP BACE1 1/4885CTSD 166/4885CTSS 43/4885
US-20070185144-A1 Beta-secretase modulators and methods of use BACE1, BACE2, APP BACE1 1/4885CTSD 166/4885CTSS 43/4885

“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.