SCHEMBL3545793

SCHEMBL3545793

CC(C)(C)OC(=O)NN(Cc1ccc([N+](=O)[O-])cc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 8/20 0.49
PSEN2 P49810 8/20 0.49
APH1B Q8WW43 8/20 0.49
NCSTN Q92542 8/20 0.49
APH1A Q96BI3 8/20 0.49
PSENEN Q9NZ42 8/20 0.49
CTSB P07858 1/20 0.49
KLK5 Q9Y337 2/20 0.47
MLNR O43193 1/20 0.45
NR1I2 O75469 1/20 0.45
SLCO2B1 O94956 1/20 0.45
ABCB11 O95342 1/20 0.45
ABCB1 P08183 1/20 0.45
UGT1A1 P22309 1/20 0.45
CCKAR P32238 1/20 0.45
OPRK1 P41145 1/20 0.45
GHSR Q92847 1/20 0.45
SLCO1B3 Q9NPD5 1/20 0.45
ABCG2 Q9UNQ0 1/20 0.45
SLCO1B1 Q9Y6L6 1/20 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
SCHEMBL5719847 0.94 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6443922 0.91 CTSB (0.57) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6443918 0.91 CTSB (0.57) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8331508 0.89 CTSB (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8332535 0.87 PSEN1 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8331942 0.85 PSEN1 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5929888 0.85 CTSB (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6557017 0.85 CTSB (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5929911 0.85 CTSB (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6446393 0.84 PSEN1 (0.57) 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 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 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.