Sugi Predict

Sugi Predict / Compounds / SCHEMBL168969

SCHEMBL168969

SCHEMBL168969

Cc1csc(CN(C)C(=O)c2cccc(C(=O)N[C@@H](Cc3ccccc3)[C@H](O)CNCc3cccc(C(F)(F)F)c3)c2)n1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 20/20 0.59
▸ CTSD P07339 16/20 0.59
▸ BACE2 Q9Y5Z0 16/20 0.59
▸ BCHE P06276 1/20 0.52
▸ CYP3A4 P08684 1/20 0.49
▸ CYP2D6 P10635 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49

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
SCHEMBL4220620 1.00 BACE1 (0.59) BACE1CTSDBACE2BCHECYP3A4
SCHEMBL3508822 0.96 BACE1 (0.54) BACE1CTSDBACE2BCHECYP3A4
SCHEMBL3509769 0.95 BACE1 (0.55) BACE1CTSDBACE2BCHECYP3A4
SCHEMBL3510028 0.95 BACE1 (0.53) BACE1CTSDBACE2BCHE
SCHEMBL3511774 0.94 BACE1 (0.53) BACE1CTSDBACE2BCHECYP3A4
SCHEMBL3512634 0.94 BACE1 (0.53) BACE1CTSDBACE2BCHE
SCHEMBL3511115 0.93 BACE1 (0.52) BACE1CTSDBACE2BCHECYP3A4
SCHEMBL13073586 0.93 BACE1 (0.51) BACE1CTSDBACE2BCHECYP3A4
SCHEMBL3511759 0.93 BACE1 (0.51) BACE1CTSDBACE2
SCHEMBL3510436 0.93 BACE1 (0.56) BACE1CTSDBACE2BCHECYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2611441-A1 BACE INHIBITORS FOR USE IN THE TREATMENT OF DIABETES F.HOFFMANN-LA ROCHE AG (CH) 2013-07-10 — — EP disclosed
WO-2012028563-A1 BACE INHIBITORS FOR USE IN THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2012-03-08 — — WO disclosed
WO-2012028563-A1 BACE INHIBITORS FOR USE IN THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2012-03-08 — — WO disclosed
US-20120053200-A1 BACE 2 INHIBITORS HOFFMANN-LA ROCHE INC. 2012-03-01 — — US disclosed
US-20120053200-A1 BACE 2 INHIBITORS HOFFMANN-LA ROCHE INC. 2012-03-01 — — US disclosed
US-7504420-B2 Compounds which inhibit beta-secretase activity and methods of use COMENTIS, INC. (US) 2009-03-17 — — US disclosed
US-20080176939-A1 COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF COMENTIS, INC. (US) 2008-07-24 — — US disclosed
US-20070117793-A1 Compounds Which Inhibit Beta-Secretase Activity and Methods of Use ZAPAQ, INC. (US) 2007-05-24 — — 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-20070117793-A1 Compounds Which Inhibit Beta-Secretase Activity and Methods of Use BACE1, BACE2, APP BACE1 1/4885CTSD 31/4885BACE2 2/4885
US-20080176939-A1 COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF BACE1, BACE2, APP BACE1 1/4885CTSD 50/4885BACE2 2/4885
US-20120053200-A1 BACE 2 INHIBITORS BACE2, BACE1, PSEN2 BACE1 2/4885CTSD 138/4885BACE2 1/4885

“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.