SCHEMBL6799385

SCHEMBL6799385

CC(C)(C)CC(N)C(=O)NC(CCc1ccccc1)C(=O)c1oc(-c2ccccc2)nc1CO

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.39
CTSC P53634 1/20 0.37
CTSS P25774 3/20 0.37
CTSK P43235 2/20 0.37
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
GAA P10253 1/20 0.36
PPARG P37231 4/20 0.35
PPARA Q07869 3/20 0.35
PPARD Q03181 1/20 0.35
KMT2A Q03164 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MME P08473 1/20 0.35
ACE P12821 1/20 0.35
CPA1 P15085 1/20 0.35
ACE2 Q9BYF1 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL6802083 0.91 TP53 (0.37) TP53CTSCCTSSCTSKCTSL
SCHEMBL7246595 0.90 CTSC (0.38) TP53CTSCCTSSCTSKCTSL
SCHEMBL6797434 0.88 CTSL (0.37) TP53CTSSCTSKCTSLCTSB
SCHEMBL6801357 0.85 CTSL (0.42) TP53CTSSCTSKCTSLCTSB
SCHEMBL6799382 0.80 TP53 (0.37) TP53CTSSCTSKCTSLCTSB
SCHEMBL6796528 0.79 TP53 (0.39) TP53CTSSCTSKCTSLCTSB
SCHEMBL7032568 0.77 MMP1 (0.41) CTSCCTSSCTSKCTSLCTSB
SCHEMBL6807134 0.75 CTSL (0.44) CTSLCTSBPPARGPPARA
SCHEMBL6797743 0.75 CTSS (0.37) CTSCCTSSCTSKCTSLCTSB
SCHEMBL6807014 0.74 CTSL (0.45) CTSSCTSKCTSLCTSBMME

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 1662/4885CTSC 13/4885CTSS 1/4885
US-20030158406-A1 Compounds useful as reversible inhibitors of cathepsin S CTSS, CTSB, CTSV TP53 1662/4885CTSC 13/4885CTSS 1/4885

“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.