SCHEMBL6807014

SCHEMBL6807014

NC(CC1CCCCC1)C(=O)NC(CCc1ccccc1)C(=O)c1oc(-c2ccncc2)nc1CC1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 4/20 0.45
CTSS P25774 4/20 0.45
CTSB P07858 3/20 0.45
MMP2 P08253 10/20 0.41
MMP3 P08254 9/20 0.41
MMP1 P03956 8/20 0.41
CTSK P43235 1/20 0.38
MME P08473 1/20 0.36
ACE P12821 1/20 0.36
CPA1 P15085 1/20 0.36
ACE2 Q9BYF1 1/20 0.36
REN P00797 2/20 0.36
PSMB11 A5LHX3 1/20 0.36
PSMA7 O14818 1/20 0.36
PSMB1 P20618 1/20 0.36
PSMA1 P25786 1/20 0.36
PSMA2 P25787 1/20 0.36
PSMA3 P25788 1/20 0.36
PSMA4 P25789 1/20 0.36
PSMB8 P28062 1/20 0.36

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
SCHEMBL6806942 0.92 CTSL (0.43) CTSLCTSSCTSBMMP2MMP3
SCHEMBL7238076 0.87 MMP2 (0.44) CTSLCTSSCTSBMMP2MMP3
SCHEMBL6801151 0.82 CTSL (0.39) CTSLCTSSCTSBMMP2MMP3
SCHEMBL6807294 0.79 CDC7 (0.49) CTSLCTSSCTSBMMP2MMP3
SCHEMBL6807013 0.78 F2RL1 (0.38) CTSLCTSSCTSBCTSK
SCHEMBL6797434 0.77 CTSL (0.37) CTSLCTSSCTSBCTSK
SCHEMBL6806939 0.77 CTSL (0.36) CTSLCTSSCTSBMMP2MMP3
SCHEMBL6803692 0.76 CTRL (0.41) CTSBPSMB11PSMA7PSMB1PSMA1
SCHEMBL6799385 0.74 TP53 (0.39) CTSLCTSSCTSBCTSKMME
SCHEMBL6807156 0.74 MMP2 (0.40) CTSLCTSSCTSBMMP2MMP3

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 CTSL 12/4885CTSS 1/4885CTSB 2/4885
US-20030158406-A1 Compounds useful as reversible inhibitors of cathepsin S CTSS, CTSB, CTSV CTSL 12/4885CTSS 1/4885CTSB 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.