SCHEMBL6807154

SCHEMBL6807154

CC(C)Cc1nc(C2CCN(C(N)=O)CC2)oc1C(=O)C(CCc1ccccc1)NC(=O)[CH]CC1CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.36
CTSS P25774 2/20 0.35
CTSL P07711 1/20 0.35
CTSB P07858 1/20 0.35
ACE P12821 6/20 0.34
F2RL1 P55085 1/20 0.33
MMP2 P08253 2/20 0.33
CHRM4 P08173 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
REN P00797 3/20 0.33
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32
MMP1 P03956 1/20 0.32
MMP3 P08254 1/20 0.32

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
SCHEMBL6797741 0.81 CTSS (0.34) KMT2ACTSSCTSLCTSBCHRM4
SCHEMBL6807156 0.81 MMP2 (0.40) CTSSCTSLCTSBMMP2REN
SCHEMBL6918530 0.80 BMP1 (0.34) CTSSCTSLCTSBMMP2ALDH1A1
SCHEMBL6918534 0.80 BMP1 (0.34) CTSSCTSLCTSBMMP2ALDH1A1
SCHEMBL6801806 0.78 KDM4E (0.35) CTSSCTSLCTSBALDH1A1
SCHEMBL6800150 0.78 ACE (0.33) KMT2ACTSSCTSLCTSBACE
SCHEMBL6806939 0.77 CTSL (0.36) CTSSCTSLCTSBMMP2PPARG
SCHEMBL7250425 0.76 MMP1 (0.34) CTSSCTSLCTSBMMP2ALDH1A1
SCHEMBL6797743 0.75 CTSS (0.37) CTSSCTSLCTSBMMP2
SCHEMBL6801144 0.74 CTSL (0.33) CTSSCTSLCTSBMMP2ALDH1A1

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 KMT2A 4408/4885CTSS 1/4885CTSL 12/4885
US-20030158406-A1 Compounds useful as reversible inhibitors of cathepsin S CTSS, CTSB, CTSV KMT2A 4408/4885CTSS 1/4885CTSL 12/4885

“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.