SCHEMBL2434946

SCHEMBL2434946

CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CC(Cc1ccc(Br)cc1)N(Cc1ccccc1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 12/20 0.52
PSEN2 P49810 12/20 0.52
APH1B Q8WW43 12/20 0.52
NCSTN Q92542 12/20 0.52
APH1A Q96BI3 12/20 0.52
PSENEN Q9NZ42 12/20 0.52
KLK5 Q9Y337 3/20 0.52
APP P05067 1/20 0.47
CTSS P25774 1/20 0.46
CTSK P43235 1/20 0.46
BACE1 P56817 2/20 0.45

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
SCHEMBL2434924 0.85 UGT1A1 (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2434930 0.85 UGT1A1 (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2436930 0.85 UGT1A1 (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2438927 0.85 UGT1A1 (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3804911 0.82 KLK5 (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6010267 0.82 PSEN1 (0.55) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7392856 0.81 KLK5 (0.67) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13315172 0.77 CTSS (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13537643 0.77 CTSS (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9016587 0.77 KLK5 (0.62) PSEN1PSEN2APH1BNCSTNAPH1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1697344-B1 HIV PROTEASE INHIBITING COMPOUNDS ABBOTT LAB (US) 2011-09-28 EP disclosed
US-7834043-B2 Prevent reproduct of aids virus ABBOTT LABORATORIES (US) 2010-11-16 US disclosed
US-20100249181-A1 HIV Protease Inhibiting Compounds ABBOTT LABORATORIES (US) 2010-09-30 US disclosed
US-20050148623-A1 Prevent reproduct of aids virus ABBVIE INC. 2005-07-07 US disclosed
US-20050131017-A1 HIV protease inhibiting compounds ABBOTT LABORATORIES 2005-06-16 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 (3 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-20050148623-A1 Prevent reproduct of aids virus SERPINB1, PRSS1, SERPINA3 PSEN1 1819/4885PSEN2 2434/4885APH1B 1098/4885
US-20050131017-A1 HIV protease inhibiting compounds SERPINB1, HPN, DNPEP PSEN1 417/4885PSEN2 654/4885APH1B 482/4885
US-20100249181-A1 HIV Protease Inhibiting Compounds SERPINB1, HPN, DNPEP PSEN1 417/4885PSEN2 654/4885APH1B 482/4885

“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.