SCHEMBL6797434

SCHEMBL6797434

CC(C)Cc1nc(-c2ccncc2)oc1C(=O)C(CCc1ccccc1)NC(=O)C(N)CC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSL P07711 3/20 0.37
CTSB P07858 3/20 0.37
TMPRSS11D O60235 3/20 0.37
CTRL P40313 3/20 0.37
TP53 P04637 2/20 0.36
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
PPARG P37231 7/20 0.35
PPARA Q07869 4/20 0.35
FAAH O00519 1/20 0.34
CES1 P23141 1/20 0.34

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
SCHEMBL6801357 0.92 CTSL (0.42) CTSLCTSBTP53CTSSCTSK
SCHEMBL6799385 0.88 TP53 (0.39) CTSLCTSBTP53CTSSCTSK
SCHEMBL6806942 0.86 CTSL (0.43) CTSLCTSBTMPRSS11DCTRLCTSS
SCHEMBL6802083 0.85 TP53 (0.37) CTSLCTSBTP53CTSSCTSK
SCHEMBL7246595 0.84 CTSC (0.38) CTSLCTSBTP53CTSSCTSK
SCHEMBL6807134 0.83 CTSL (0.44) CTSLCTSBTMPRSS11DCTRLPPARG
SCHEMBL6797431 0.82 TP53 (0.35) CTSLCTSBTMPRSS11DCTRLTP53
SCHEMBL6797743 0.79 CTSS (0.37) CTSLCTSBTMPRSS11DCTRLCTSS
SCHEMBL6803692 0.79 CTRL (0.41) CTSBTMPRSS11DCTRL
SCHEMBL6801809 0.78 KDM4E (0.37) CTSLCTSBTMPRSS11DCTRLCTSS

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 CTSL 12/4885CTSB 2/4885TMPRSS11D 324/4885
US-20030158406-A1 Compounds useful as reversible inhibitors of cathepsin S CTSS, CTSB, CTSV CTSL 12/4885CTSB 2/4885TMPRSS11D 324/4885

“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.