SCHEMBL6807013

SCHEMBL6807013

NC(=O)c1ccccc1CCC(NC(=O)[CH]CC1CCCCC1)C(=O)c1oc(-c2ccncc2)nc1CC1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F2RL1 P55085 3/20 0.38
CTSL P07711 1/20 0.32
CTSB P07858 1/20 0.32
CTSS P25774 1/20 0.32
PPARG P37231 3/20 0.32
CTSK P43235 1/20 0.31
CDC7 O00311 1/20 0.30
BMP1 P13497 1/20 0.30
TSHR P16473 1/20 0.30
RECQL P46063 1/20 0.30

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
SCHEMBL7238073 0.86 F2RL1 (0.37) F2RL1PPARGCTSKBMP1
SCHEMBL6806939 0.82 CTSL (0.36) CTSLCTSBCTSSPPARGCTSK
SCHEMBL6807014 0.78 CTSL (0.45) CTSLCTSBCTSSCTSK
SCHEMBL6799439 0.76 MAPT (0.39) CTSLCTSBCTSSCTSK
SCHEMBL6801144 0.73 CTSL (0.33) CTSLCTSBCTSSPPARGCTSK
SCHEMBL7250425 0.71 MMP1 (0.34) CTSLCTSBCTSSCTSKBMP1
SCHEMBL6806942 0.71 CTSL (0.43) CTSLCTSBCTSSCTSK
SCHEMBL6918530 0.71 BMP1 (0.34) CTSLCTSBCTSSCTSKBMP1
SCHEMBL6918534 0.71 BMP1 (0.34) CTSLCTSBCTSSCTSKBMP1
SCHEMBL6797431 0.67 TP53 (0.35) CTSLCTSBPPARG

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 F2RL1 88/4885CTSL 12/4885CTSB 2/4885
US-20030158406-A1 Compounds useful as reversible inhibitors of cathepsin S CTSS, CTSB, CTSV F2RL1 88/4885CTSL 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.