SCHEMBL2176328

SCHEMBL2176328

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
GRM5 P41594 2/20 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
PPARG P37231 3/20 0.37
SLC1A1 P43005 2/20 0.37
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
NCOA2 Q15596 1/20 0.37
NCOA1 Q15788 1/20 0.37
NCOA3 Q9Y6Q9 1/20 0.37
BACE1 P56817 3/20 0.37

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
SCHEMBL2078007 0.84 PTGES (0.35) BACE1
SCHEMBL3577732 0.83 CTSS (0.42) CTSSCTSKGRM5JAK2ALDH1A1
SCHEMBL2175747 0.82 CTSS (0.42) CTSSCTSKGRM5JAK2ALDH1A1
SCHEMBL3572220 0.82 CTSS (0.42) CTSSCTSKGRM5JAK2ALDH1A1
SCHEMBL2769287 0.76 FAAH (0.36) ALDH1A1NPSR1
SCHEMBL4993919 0.74 CYP26A1 (0.39) GRM5ALDH1A1LMNA
SCHEMBL2178555 0.74 BACE1 (0.45) CTSSCTSKGRM5JAK2ALDH1A1
SCHEMBL2079320 0.71 CTSB (0.42) CTSSCTSKHSD17B10
SCHEMBL2080298 0.70 CTSS (0.32) CTSSCTSK
SCHEMBL8892237 0.70 CTSS (0.49) CTSSCTSKJAK2ALDH1A1TP53

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 2 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 CTSS 43/4885CTSK 79/4885GRM5 969/4885

“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.