SCHEMBL3553822

SCHEMBL3553822

NN(Cc1ccccc1)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSB P07858 1/20 0.48
BACE1 P56817 3/20 0.41
PSEN1 P49768 2/20 0.41
PSEN2 P49810 2/20 0.41
APH1B Q8WW43 2/20 0.41
NCSTN Q92542 2/20 0.41
APH1A Q96BI3 2/20 0.41
PSENEN Q9NZ42 2/20 0.41
SLC6A11 P48066 1/20 0.41
BCHE P06276 3/20 0.40
CTSD P07339 1/20 0.40
CTSE P14091 1/20 0.40
PGC P20142 1/20 0.40
PTPN1 P18031 1/20 0.39
SPPL2A Q8TCT8 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
SCHEMBL3553819 1.00 CTSB (0.48) CTSBBACE1PSEN1PSEN2APH1B
SCHEMBL6447570 0.86 CTSB (0.66) CTSBPSEN1PSEN2APH1BNCSTN
SCHEMBL6447573 0.86 CTSB (0.66) CTSBPSEN1PSEN2APH1BNCSTN
SCHEMBL3553186 0.86 UGT1A1 (0.56) CTSBCTSD
SCHEMBL3553181 0.86 UGT1A1 (0.56) CTSBCTSD
SCHEMBL9012913 0.80 BACE1 (0.50) BACE1SLC6A11BCHE
SCHEMBL15958897 0.80 PSEN1 (0.46) CTSBPSEN1PSEN2APH1BNCSTN
SCHEMBL3710561 0.80 BACE1 (0.44) CTSBBACE1PSEN1PSEN2APH1B
SCHEMBL3507689 0.79 CTSC (0.48) BACE1SLC6A11BCHE
SCHEMBL3507688 0.79 CTSC (0.48) BACE1SLC6A11BCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1697348-B1 HIV PROTEASE INHIBITING COMPOUNDS ABBOTT LAB (US) 2011-12-28 EP disclosed
US-7696226-B2 HIV protease inhibiting compounds ABBOTT LABORATORIES (US) 2010-04-13 US disclosed
US-20050159469-A1 HIV protease inhibiting compounds ABBVIE INC. 2005-07-21 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-20050159469-A1 HIV protease inhibiting compounds SERPINB1, HPN, DNPEP CTSB 26/4885BACE1 112/4885PSEN1 417/4885

“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.