SCHEMBL6797741

SCHEMBL6797741

CC(C)Cc1nc(C2CCN(C)CC2)oc1C(=O)C(CCc1ccccc1)NC(=O)[CH]CC(C)(C)C(N)=O

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSS P25774 3/20 0.34
CTSL P07711 3/20 0.34
CTSB P07858 2/20 0.34
CTSK P43235 2/20 0.34
HTR4 Q13639 2/20 0.33
CAPN1 P07384 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
FLT4 P35916 2/20 0.33
ASAH1 Q13510 3/20 0.32
KMT2A Q03164 1/20 0.32
GHSR Q92847 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
CHRM4 P08173 1/20 0.31

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
SCHEMBL6801806 0.91 KDM4E (0.35) CTSSCTSLCTSBCTSKCAPN1
SCHEMBL6797743 0.83 CTSS (0.37) CTSSCTSLCTSBCTSKHTR4
SCHEMBL6807154 0.81 KMT2A (0.36) CTSSCTSLCTSBKMT2ACHRM4
SCHEMBL6797431 0.80 TP53 (0.35) CTSLCTSB
SCHEMBL6807156 0.80 MMP2 (0.40) CTSSCTSLCTSB
SCHEMBL6801355 0.79 CTSL (0.38) CTSLCTSB
SCHEMBL6800150 0.77 ACE (0.33) CTSSCTSLCTSBCTSKASAH1
SCHEMBL6799382 0.75 TP53 (0.37) CTSSCTSLCTSBCTSKKMT2A
SCHEMBL6801809 0.75 KDM4E (0.37) CTSSCTSLCTSBCTSKCAPN1
SCHEMBL7246591 0.73 KDM4E (0.35) CTSSCTSLCTSBCTSKCYP3A4

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 CTSS 1/4885CTSL 12/4885CTSB 2/4885
US-20030158406-A1 Compounds useful as reversible inhibitors of cathepsin S CTSS, CTSB, CTSV CTSS 1/4885CTSL 12/4885CTSB 2/4885

“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.