SCHEMBL6802589

SCHEMBL6802589

CN(C)Cc1nc(-c2ccccc2)oc1C(=O)CNC(=O)[CH]CC(C)(C)C(N)=O

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.37
PPARA Q07869 9/20 0.36
PPARG P37231 8/20 0.36
TP53 P04637 1/20 0.35
GAA P10253 1/20 0.34
PPARD Q03181 1/20 0.34
HPGD P15428 2/20 0.34
F2 P00734 1/20 0.34
LMNA P02545 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PDE10A Q9Y233 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL6799108 0.85 GAA (0.37) KDM4EPPARAPPARGTP53GAA
SCHEMBL6801160 0.83 KDM4E (0.37) KDM4EPPARAPPARGTP53GAA
SCHEMBL6800113 0.83 LMNA (0.41) KDM4ETP53LMNANPC1RAB9A
SCHEMBL6802080 0.80 TP53 (0.35) KDM4EPPARAPPARGTP53PPARD
SCHEMBL6802592 0.77 GAA (0.38) KDM4EPPARAPPARGGAAPPARD
SCHEMBL6801170 0.74 HDAC1 (0.39) KDM4EPPARAPPARGGAAHPGD
SCHEMBL6800783 0.70 RAB9A (0.36) NPC1RAB9APDE10A
SCHEMBL6799382 0.70 TP53 (0.37) KDM4EPPARAPPARGTP53PPARD
SCHEMBL7246591 0.67 KDM4E (0.35) KDM4EPPARGTP53GAAALDH1A1
SCHEMBL6797431 0.66 TP53 (0.35) PPARAPPARGTP53

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-6730671-B2 ENZYME INHIBITOR TREATING AUTOIMMUNE DISEASES, ALZHEIMER'S DISEASE, ATHEROSCLEROSIS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2004-05-04 US disclosed
US-20030158406-A1 Compounds useful as reversible inhibitors of cathepsin S BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2003-08-21 US disclosed
US-6608057-B2 Compounds useful as reversible inhibitors of cathepsin S BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2003-08-19 US disclosed
US-20020091259-A1 Compounds useful as reversible inhibitors of cathepsin S CYWIN CHARLES L (US) 2002-07-11 US disclosed
US-6395897-B1 DRUGS FOR ENZYME INHIBITORS ANTICOAGULANTS AND TREATMENT OF AUTOIMMUNE DISEASE BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2002-05-28 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 (2 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-20020091259-A1 Compounds useful as reversible inhibitors of cathepsin S CTSS, CTSB, CTSV KDM4E 4231/4885PPARA 2825/4885PPARG 1561/4885
US-20030158406-A1 Compounds useful as reversible inhibitors of cathepsin S CTSS, CTSB, CTSV KDM4E 4231/4885PPARA 2825/4885PPARG 1561/4885

“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.