SCHEMBL1562379

SCHEMBL1562379

CC(C(=O)NCC(F)(F)C(F)(F)F)C(=O)N[C@H]1COc2ccccc2NC1=O

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 12/20 0.45
PSEN1 P49768 3/20 0.45
PSEN2 P49810 3/20 0.45
APH1B Q8WW43 3/20 0.45
NCSTN Q92542 3/20 0.45
APH1A Q96BI3 3/20 0.45
PSENEN Q9NZ42 3/20 0.45
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
XIAP P98170 1/20 0.35

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
SCHEMBL1562384 1.00 RIPK1 (0.45) RIPK1PSEN1PSEN2APH1BNCSTN
SCHEMBL14502626 0.81 RIPK1 (0.48) RIPK1PSEN1PSEN2APH1BNCSTN
SCHEMBL1562613 0.81 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1561610 0.81 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1561702 0.80 PSEN1 (0.60) RIPK1PSEN1PSEN2APH1BNCSTN
SCHEMBL1561707 0.80 PSEN1 (0.60) RIPK1PSEN1PSEN2APH1BNCSTN
SCHEMBL1562066 0.79 PSEN1 (0.51) RIPK1PSEN1PSEN2APH1BNCSTN
SCHEMBL4430075 0.79 PSEN1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1562069 0.79 PSEN1 (0.51) RIPK1PSEN1PSEN2APH1BNCSTN
SCHEMBL4429161 0.79 PSEN1 (0.49) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1828151-B1 MALONAMIDE DERIVATIVES AS INHIBITORS OF GAMMA-SECRETASE FOR THE TREATMENT OF ALZHEIMER'S DISEASE HOFFMANN LA ROCHE (CH) 2011-04-06 EP disclosed
EP-1828151-B1 MALONAMIDE DERIVATIVES AS INHIBITORS OF GAMMA-SECRETASE FOR THE TREATMENT OF ALZHEIMER'S DISEASE HOFFMANN LA ROCHE (CH) 2011-04-06 EP disclosed
EP-1828151-A2 MALONAMIDE DERIVATIVES AS INHIBITORS OF GAMMA-SECRETASE FOR THE TREATMENT OF ALZHEIMER'S DISEASE F.HOFFMANN-LA ROCHE AG (CH) 2007-09-05 EP disclosed
US-7211573-B2 Malonamide derivatives HOFFMANN-LA ROCHE INC. (US) 2007-05-01 US disclosed
US-7211573-B2 Malonamide derivatives HOFFMANN-LA ROCHE INC. (US) 2007-05-01 US disclosed
US-7211573-B2 Malonamide derivatives HOFFMANN-LA ROCHE INC. (US) 2007-05-01 US disclosed
WO-2006061136-A2 MALONAMIDE DERIVATIVES AS INHIBITORS OF GAMMA-SECRETASE FOR THE TREATMENT OF ALZHEIMER’S DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2006-06-15 WO disclosed
US-20060122168-A1 Malonamide derivatives F. HOFFMANN-LA ROCHE AG (CH) 2006-06-08 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-20060122168-A1 Malonamide derivatives ACE, REN, ME1 RIPK1 3388/4885PSEN1 10/4885PSEN2 20/4885

“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.