SCHEMBL6807294

SCHEMBL6807294

NC(CC1CCCCC1)C(=O)NC(CCc1ccccc1)C(=O)c1sc(-c2ccncc2)nc1-c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 5/20 0.49
DBF4 Q9UBU7 5/20 0.49
CCNE1 P24864 1/20 0.47
CDK2 P24941 1/20 0.47
CTSL P07711 2/20 0.46
CTSS P25774 2/20 0.46
CTSB P07858 1/20 0.46
MMP2 P08253 11/20 0.44
MMP3 P08254 10/20 0.44
MMP1 P03956 9/20 0.44
LTA4H P09960 1/20 0.38

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
SCHEMBL6807014 0.79 CTSL (0.45) CTSLCTSSCTSBMMP2MMP3
SCHEMBL7238076 0.78 MMP2 (0.44) CTSLCTSSCTSBMMP2MMP3
SCHEMBL6807292 0.77 CDC7 (0.40) CDC7DBF4CCNE1CDK2MMP2
SCHEMBL6806942 0.76 CTSL (0.43) CTSLCTSSCTSBMMP2MMP3
SCHEMBL6807089 0.75 CDC7 (0.42) CDC7DBF4CCNE1CDK2
SCHEMBL6801151 0.69 CTSL (0.39) CTSLCTSSCTSBMMP2MMP3
SCHEMBL30982345 0.68 MME (0.67) MMP2MMP3MMP1LTA4H
SCHEMBL13073340 0.67 EPHX2 (0.61) MMP2MMP3MMP1
SCHEMBL7358712 0.67 EPHX2 (0.61) MMP2MMP3MMP1
SCHEMBL7144493 0.67 EPHX2 (0.61) MMP2MMP3MMP1

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 CDC7 1124/4885DBF4 4465/4885CCNE1 662/4885
US-20030158406-A1 Compounds useful as reversible inhibitors of cathepsin S CTSS, CTSB, CTSV CDC7 1124/4885DBF4 4465/4885CCNE1 662/4885

“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.