SCHEMBL6797431

SCHEMBL6797431

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

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.35
PPARG P37231 12/20 0.34
PPARA Q07869 7/20 0.34
TMPRSS11D O60235 1/20 0.33
CTRL P40313 1/20 0.33
CTSL P07711 1/20 0.33
CTSB P07858 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
SCHEMBL6801355 0.92 CTSL (0.38) TP53PPARGPPARACTSLCTSB
SCHEMBL6799382 0.88 TP53 (0.37) TP53PPARGPPARACTSLCTSB
SCHEMBL6802080 0.86 TP53 (0.35) TP53PPARGPPARACTSB
SCHEMBL7246591 0.84 KDM4E (0.35) TP53PPARGCTSLCTSB
SCHEMBL6797434 0.82 CTSL (0.37) TP53PPARGPPARATMPRSS11DCTRL
SCHEMBL6797741 0.80 CTSS (0.34) CTSLCTSB
SCHEMBL6807131 0.80 PPARG (0.38) TP53PPARGPPARACTSLCTSB
SCHEMBL6801806 0.79 KDM4E (0.35) CTSLCTSB
SCHEMBL6806939 0.79 CTSL (0.36) TP53PPARGPPARACTSLCTSB
SCHEMBL6806942 0.76 CTSL (0.43) TMPRSS11DCTRLCTSLCTSB

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 TP53 1662/4885PPARG 1561/4885PPARA 2825/4885
US-20030158406-A1 Compounds useful as reversible inhibitors of cathepsin S CTSS, CTSB, CTSV TP53 1662/4885PPARG 1561/4885PPARA 2825/4885

“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.