SCHEMBL6443872

SCHEMBL6443872

CC(C)(C)OC(=O)NN(CC1CCCCC1)CC(O)C(Cc1ccccc1)NC(=O)C(F)(F)F

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSD P07339 1/20 0.57
CTSE P14091 1/20 0.57
PGC P20142 1/20 0.57
REN P00797 12/20 0.47
KLK5 Q9Y337 2/20 0.45
PSEN1 P49768 3/20 0.44
PSEN2 P49810 3/20 0.44
APH1B Q8WW43 3/20 0.44
NCSTN Q92542 3/20 0.44
APH1A Q96BI3 3/20 0.44
PSENEN Q9NZ42 3/20 0.44

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
SCHEMBL6443876 1.00 CTSD (0.57) CTSDCTSEPGCRENKLK5
SCHEMBL6445403 1.00 CTSD (0.57) CTSDCTSEPGCRENKLK5
SCHEMBL6449191 0.92 CTSD (0.61) CTSDCTSEPGCRENKLK5
SCHEMBL6449190 0.92 CTSD (0.61) CTSDCTSEPGCRENKLK5
SCHEMBL7408240 0.92 CTSD (0.61) CTSDCTSEPGCRENKLK5
SCHEMBL6443284 0.86 PSEN1 (0.52) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL6443277 0.86 PSEN1 (0.52) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL6442709 0.84 CTSD (0.51) CTSDCTSEPGCRENKLK5
SCHEMBL6442715 0.84 CTSD (0.51) CTSDCTSEPGCRENKLK5
SCHEMBL6444542 0.84 CTSD (0.51) CTSDCTSEPGCRENKLK5

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
US-20050130941-A1 Methods of treating alzheimer's disease PHARMACIA & UPJOHN COMPANY LLC 2005-06-16 US disclosed
EP-1392315-A1 METHODS OF TREATING ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2004-03-03 EP disclosed
WO-2002100410-A1 METHODS OF TREATING ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2002-12-19 WO disclosed
US-5753652-A Antiretroviral hydrazine derivatives NOVARTIS CORPORATION (US) 1998-05-19 US disclosed
EP-0604368-A1 Anti retroviral hydrazine derivatives CIBA-GEIGY AG (CH) 1994-06-29 EP 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-20050130941-A1 Methods of treating alzheimer's disease BACE1, PSEN1, BACE2 CTSD 110/4885CTSE 62/4885PGC 1918/4885

“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.