SCHEMBL2175747

SCHEMBL2175747

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 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42
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
SLC1A1 P43005 2/20 0.38
GRM5 P41594 2/20 0.37
CTSD P07339 2/20 0.37
BACE1 P56817 2/20 0.37
PPARG P37231 3/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PPARA Q07869 1/20 0.36

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
SCHEMBL925424 0.88 MAPT (0.39) ATMNPC1RAB9A
SCHEMBL3577732 0.84 CTSS (0.42) CTSSCTSKJAK2ALDH1A1TP53
SCHEMBL3572220 0.83 CTSS (0.42) CTSSCTSKJAK2ALDH1A1TP53
SCHEMBL2079852 0.83 CYP3A4 (0.35) BACE1
SCHEMBL2176328 0.82 CTSS (0.41) CTSSCTSKJAK2ALDH1A1TP53
SCHEMBL2178555 0.75 BACE1 (0.45) CTSSCTSKJAK2ALDH1A1TP53
SCHEMBL2769657 0.73 FPR1 (0.33) ALDH1A1HPGDHTTHSD17B10BACE1
SCHEMBL4968867 0.72 NPC1 (0.39) ALDH1A1HTTGRM5NPC1RAB9A
SCHEMBL2079320 0.72 CTSB (0.42) CTSSCTSKHSD17B10FAAH
SCHEMBL8892237 0.71 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 79/4885JAK2 4790/4885

“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.