Sugi Predict

Sugi Predict / Compounds / SCHEMBL3538828

SCHEMBL3538828

SCHEMBL3538828

CCOc1ccc(C2(c3ccc(F)c(-c4cccnc4F)c3)N=C(N)N(C)C2=O)cc1OCC

nearest known ligand 0.75

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 20/20 0.75
▸ BACE2 Q9Y5Z0 19/20 0.75
▸ CTSD P07339 17/20 0.75
▸ REN P00797 1/20 0.75

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
SCHEMBL3532394 1.00 BACE1 (0.75) BACE1BACE2CTSDREN
SCHEMBL3532403 1.00 BACE1 (0.75) BACE1BACE2CTSDREN
SCHEMBL13403310 0.93 BACE1 (0.75) BACE1BACE2CTSDREN
SCHEMBL8275676 0.92 BACE1 (0.68) BACE1BACE2CTSDREN
SCHEMBL8275674 0.92 BACE1 (0.68) BACE1BACE2CTSDREN
SCHEMBL8275691 0.92 BACE1 (0.68) BACE1BACE2CTSDREN
SCHEMBL3537315 0.91 BACE1 (0.72) BACE1BACE2CTSDREN
SCHEMBL3539233 0.88 BACE1 (0.75) BACE1BACE2CTSD
SCHEMBL3532404 0.88 BACE1 (0.75) BACE1BACE2CTSD
SCHEMBL3539912 0.88 BACE1 (0.75) BACE1BACE2CTSD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140228541-A1 Methods and Compositions for Improved F-18 Labeling of Proteins, Peptides and Other Molecules IMMUNOMEDICS, INC. (US) 2014-08-14 — — US disclosed
US-7700602-B2 Amino-5,5-diphenylimidazolone derivatives for the inhibition of β-secretase WYETH LLC (US) 2010-04-20 — — US disclosed
EP-1756087-B1 AMINO-5,5-DIPHENYLIMIDAZOLONE DERIVATIVES FOR THE INHIBITION OF BETA-SECRETASE WYETH CORP (US) 2009-10-07 — — EP disclosed
US-20090093498-A1 AMINO-5,5-DIPHENYLIMIDAZOLONE DERIVATIVES FOR THE INHIBITION OF BETA-SECRETASE WYETH (US) 2009-04-09 — — US disclosed
US-7482349-B2 Amino-5,5-diphenylimidazolone derivatives for the inhibition of β-secretase WYETH (US) 2009-01-27 — — US disclosed
US-7482349-B2 Amino-5,5-diphenylimidazolone derivatives for the inhibition of β-secretase WYETH (US) 2009-01-27 — — US disclosed
EP-1756087-A1 AMINO-5,5-DIPHENYLIMIDAZOLONE DERIVATIVES FOR THE INHIBITION OF BETA-SECRETASE Wyeth (US) 2007-02-28 — — EP disclosed
WO-2006009653-A1 AMINO-5,5-DIPHENYLIMIDAZOLONE DERIVATIVES FOR THE INHIBITION OF BETA-SECRETASE WYETH (US) 2006-01-26 — — WO disclosed
US-20050282825-A1 Amino-5,5-diphenylimidazolone derivatives for the inhibition of beta-secretase WYETH (US) 2005-12-22 — — 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-20140228541-A1 Methods and Compositions for Improved F-18 Labeling of Proteins, Peptides and Other Molecules F13B, PAICS, MRPL19 BACE1 1151/4885BACE2 1438/4885CTSD 1450/4885
US-20090093498-A1 AMINO-5,5-DIPHENYLIMIDAZOLONE DERIVATIVES FOR THE INHIBITION OF BETA-SECRETASE BACE1, BACE2, APP BACE1 1/4885BACE2 2/4885CTSD 158/4885
US-20050282825-A1 Amino-5,5-diphenylimidazolone derivatives for the inhibition of beta-secretase BACE1, BACE2, APP BACE1 1/4885BACE2 2/4885CTSD 158/4885

“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.