SCHEMBL6445002

SCHEMBL6445002

CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](CN(CC1CCCCC1)NC(=O)OC(C)(C)C)OC(=O)c1ccccn1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSD P07339 1/20 0.43
CTSE P14091 1/20 0.43
PGC P20142 1/20 0.43
REN P00797 12/20 0.42
UGT1A1 P22309 1/20 0.41
KLK5 Q9Y337 2/20 0.41
PSEN1 P49768 2/20 0.39
PSEN2 P49810 2/20 0.39
APH1B Q8WW43 2/20 0.39
NCSTN Q92542 2/20 0.39
APH1A Q96BI3 2/20 0.39
PSENEN Q9NZ42 2/20 0.39

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
SCHEMBL6444998 1.00 CTSD (0.43) CTSDCTSEPGCRENUGT1A1
SCHEMBL8708822 0.85 REN (0.41) CTSDCTSERENKLK5
SCHEMBL8708641 0.85 REN (0.41) CTSDCTSERENKLK5
SCHEMBL8916903 0.83 CTSD (0.45) CTSDCTSEPGCRENKLK5
SCHEMBL7411853 0.83 CTSD (0.45) CTSDCTSEPGCRENKLK5
SCHEMBL7411855 0.83 CTSD (0.45) CTSDCTSEPGCRENKLK5
SCHEMBL6712761 0.82 SMN1; SMN2 (0.35) CTSDCTSEPGCRENUGT1A1
SCHEMBL7290223 0.82 CTSD (0.59) CTSDCTSEPGCUGT1A1
SCHEMBL7290217 0.82 CTSD (0.59) CTSDCTSEPGCUGT1A1
SCHEMBL7408240 0.82 CTSD (0.61) 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 7 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 claimed
EP-0604368-A1 Anti retroviral hydrazine derivatives CIBA-GEIGY AG (CH) 1994-06-29 EP claimed
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.