SCHEMBL6796528

SCHEMBL6796528

CC(C)CC(N)C(=O)NC(CCc1ccccc1)C(=O)c1oc(-c2ccccc2)nc1CN(C)C

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.39
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP12 P39900 1/20 0.38
MMP13 P45452 1/20 0.38
ERAP2 Q6P179 7/20 0.38
ERAP1 Q9NZ08 7/20 0.38
LNPEP Q9UIQ6 7/20 0.38
CTSL P07711 2/20 0.38
CTSB P07858 2/20 0.38
CTSS P25774 2/20 0.38
CTSK P43235 2/20 0.38
IL1RN P18510 1/20 0.37
MMP3 P08254 1/20 0.36
MMP8 P22894 2/20 0.36
ANPEP P15144 1/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 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
SCHEMBL6802083 0.89 TP53 (0.37) TP53CTSLCTSBCTSSCTSK
SCHEMBL7032568 0.86 MMP1 (0.41) MMP1MMP2MMP12MMP13ERAP2
SCHEMBL6807134 0.83 CTSL (0.44) MMP1MMP2MMP12MMP13ERAP2
SCHEMBL6796521 0.80 TP53 (0.37) TP53CTSBPPARGPPARA
SCHEMBL6803692 0.80 CTRL (0.41) CTSB
SCHEMBL6801170 0.80 HDAC1 (0.39) PPARGPPARA
SCHEMBL6799385 0.79 TP53 (0.39) TP53CTSLCTSBCTSSCTSK
SCHEMBL6802080 0.78 TP53 (0.35) TP53CTSBPPARGPPARA
SCHEMBL6797434 0.77 CTSL (0.37) TP53CTSLCTSBCTSSCTSK
SCHEMBL6806942 0.75 CTSL (0.43) MMP1MMP2CTSLCTSBCTSS

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 1662/4885MMP1 102/4885MMP2 107/4885
US-20030158406-A1 Compounds useful as reversible inhibitors of cathepsin S CTSS, CTSB, CTSV TP53 1662/4885MMP1 102/4885MMP2 107/4885

“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.