SCHEMBL6446520

SCHEMBL6446520

CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSENEN Q9NZ42 1/20 0.41
CTSK P43235 4/20 0.39
CTSS P25774 2/20 0.39
ELANE P08246 2/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA14 Q9ULX7 1/20 0.36
ABCB1 P08183 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
NPR3 P17342 1/20 0.34
CYP2D6 P10635 1/20 0.34
PREP P48147 1/20 0.34
TRPA1 O75762 2/20 0.33
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
KLK5 Q9Y337 1/20 0.33
POLB P06746 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL22892478 0.82 CTSK (0.34) PSENENCTSKCTSSELANECA1
SCHEMBL11533969 0.81 MAPT (0.39) CTSKCA1CA2CA7CA14
SCHEMBL11537134 0.81 MAPT (0.39) CTSKCA1CA2CA7CA14
SCHEMBL11533964 0.81 MAPT (0.39) CTSKCA1CA2CA7CA14
SCHEMBL30170109 0.80 CA14 (0.36) PSENENCTSKCTSSELANECA1
SCHEMBL21488045 0.80 ALDH1A1 (0.35) PSENENELANECA1CA2CA14
SCHEMBL23260554 0.79 CTSK (0.57) PSENENCTSKCTSSELANECA1
SCHEMBL11910515 0.79 NPR3 (0.42) CTSKCTSSCA1CA2CA7
SCHEMBL18171836 0.78 CTSK (0.41) CTSKCTSSCA1CA2CA7
SCHEMBL18171834 0.78 CTSK (0.41) CTSKCTSSCA1CA2CA7

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 PSENEN 9/4885CTSK 92/4885CTSS 82/4885

“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.