SCHEMBL6802745

SCHEMBL6802745

CC(C)Cc1nc(C2CCN(c3ncccn3)CC2)oc1C(=O)CNC(=O)[CH]CC(C)(C)C(N)=O

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AXL P30530 3/20 0.32
ALDH1A1 P00352 2/20 0.31
LMNA P02545 1/20 0.31
KDM4E B2RXH2 1/20 0.31
HPGD P15428 1/20 0.31
GPR119 Q8TDV5 1/20 0.31
TSHR P16473 1/20 0.30
USP30 Q70CQ3 1/20 0.30
MGLL Q99685 1/20 0.30

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
SCHEMBL6802746 0.83 KDM4E (0.33) AXLALDH1A1LMNAKDM4EHPGD
SCHEMBL6803750 0.82 ERCC1 (0.33)
SCHEMBL6801806 0.82 KDM4E (0.35) AXLALDH1A1LMNAKDM4EHPGD
SCHEMBL6807161 0.79 ERCC1 (0.33)
SCHEMBL6801296 0.77 MGLL (0.32) AXLALDH1A1LMNAKDM4EHPGD
SCHEMBL6801297 0.72 MGLL (0.34) ALDH1A1LMNAKDM4EHPGDTSHR
SCHEMBL6797741 0.71 CTSS (0.34)
SCHEMBL6800971 0.69 ERCC1 (0.34)
SCHEMBL6801809 0.68 KDM4E (0.37) ALDH1A1LMNAKDM4E
SCHEMBL6803756 0.65 ERCC1 (0.35)

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 AXL 4645/4885ALDH1A1 1591/4885LMNA 3225/4885
US-20030158406-A1 Compounds useful as reversible inhibitors of cathepsin S CTSS, CTSB, CTSV AXL 4645/4885ALDH1A1 1591/4885LMNA 3225/4885

“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.