SCHEMBL6802903

SCHEMBL6802903

CC(C)(C)OC(=O)NC(CCc1ccccc1)C(=O)c1oc(-c2ccccc2)nc1-c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSK P43235 9/20 0.53
CTSS P25774 8/20 0.53
SCN9A Q15858 1/20 0.45
PPARA Q07869 4/20 0.44
PPARG P37231 3/20 0.44
ACE P12821 1/20 0.44
CTSL P07711 2/20 0.43
CTSB P07858 2/20 0.43
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 1/20 0.42
PPARD Q03181 2/20 0.41

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
SCHEMBL6800302 0.83 CTSL (0.41) CTSKCTSSCTSLCTSBALDH1A1
SCHEMBL6800298 0.82 TP53 (0.36) CTSKCTSSCTSLCTSBALDH1A1
SCHEMBL7246595 0.82 CTSC (0.38) CTSKCTSSPPARGACECTSL
SCHEMBL6807155 0.81 CTSL (0.42) CTSKCTSSCTSLCTSBALDH1A1
SCHEMBL7246591 0.79 KDM4E (0.35) CTSKCTSSPPARGCTSLCTSB
SCHEMBL7032568 0.78 MMP1 (0.41) CTSKCTSSCTSLCTSB
SCHEMBL7366987 0.77 CKS1B (0.45) CTSKCTSSALDH1A1MEN1LMNA
SCHEMBL181807 0.77 CTSK (0.71) CTSKCTSSSCN9APPARAPPARG
SCHEMBL181808 0.77 CTSK (0.71) CTSKCTSSSCN9APPARAPPARG
SCHEMBL181775 0.77 CTSK (0.71) CTSKCTSSSCN9APPARAPPARG

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 7 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
EP-1159273-A1 COMPOUNDS USEFUL AS REVERSIBLE INHIBITORS OF CATHEPSIN S BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2001-12-05 EP disclosed
WO-2000051998-A1 COMPOUNDS USEFUL AS REVERSIBLE INHIBITORS OF CATHEPSIN S BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2000-09-08 WO 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 CTSK 4/4885CTSS 1/4885SCN9A 3089/4885
US-20030158406-A1 Compounds useful as reversible inhibitors of cathepsin S CTSS, CTSB, CTSV CTSK 4/4885CTSS 1/4885SCN9A 3089/4885

“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.