SCHEMBL6444840

SCHEMBL6444840

COCCOCC(=O)N[C@H](C(=O)OC(C)(C)C)C(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 1/20 0.38
CTSK P43235 2/20 0.36
CTSS P25774 1/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
MAPT P10636 2/20 0.35
HSD17B10 Q99714 1/20 0.35
APLNR P35414 1/20 0.33
ABCB1 P08183 1/20 0.33
NPR3 P17342 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CRHBP P24387 1/20 0.33
HTT P42858 1/20 0.33
CRHR2 Q13324 1/20 0.33
BIRC2 Q13490 1/20 0.33
POLB P06746 1/20 0.33
CNR1 P21554 2/20 0.32
CNR2 P34972 2/20 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
SCHEMBL6447897 0.80 MBTPS1 (0.45) ALDH1A1POLBSDCBPSDC2
SCHEMBL6443618 0.80 MBTPS1 (0.45) ALDH1A1POLBSDCBPSDC2
SCHEMBL6444833 0.78 KLK5 (0.39) KLK5CTSKCTSSCA1CA2
SCHEMBL30408069 0.78 MAPT (0.36) CTSKCTSSMAPTHSD17B10BIRC2
SCHEMBL7708004 0.78 POLB (0.35) MAPTHSD17B10POLBCNR1CNR2
SCHEMBL10076063 0.77 CTSK (0.42) KLK5CTSKCTSSCA1CA2
SCHEMBL12935765 0.77 CTSK (0.42) KLK5CTSKCTSSCA1CA2
SCHEMBL22153106 0.75 CTSK (0.41) KLK5CTSKCTSSCA1CA2
SCHEMBL24097644 0.75 CTSK (0.51) KLK5CTSKCTSSCA1CA2
SCHEMBL12448079 0.74 LMNA (0.39) CA1CA2MAPTKDM4EALDH1A1

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 4 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

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 KLK5 860/4885CTSK 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.