SCHEMBL6806939

SCHEMBL6806939

CC(Cc1nc(-c2ccncc2)oc1C(=O)C(CCc1ccccc1)NC(=O)[CH]CC1CCCCC1)C(N)=O

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
CTSS P25774 1/20 0.36
TP53 P04637 2/20 0.35
CTSK P43235 2/20 0.35
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
PPARG P37231 6/20 0.34
AVPR1B P47901 1/20 0.33
ACACB O00763 1/20 0.32
PPARA Q07869 2/20 0.32
POLB P06746 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
SCHEMBL6801144 0.90 CTSL (0.33) CTSLCTSBCTSSCTSKMMP1
SCHEMBL7250425 0.89 MMP1 (0.34) CTSLCTSBCTSSCTSKMMP1
SCHEMBL6807013 0.82 F2RL1 (0.38) CTSLCTSBCTSSCTSKPPARG
SCHEMBL6918530 0.82 BMP1 (0.34) CTSLCTSBCTSSCTSKMMP2
SCHEMBL6918534 0.82 BMP1 (0.34) CTSLCTSBCTSSCTSKMMP2
SCHEMBL6799439 0.81 MAPT (0.39) CTSLCTSBCTSSTP53CTSK
SCHEMBL6806942 0.81 CTSL (0.43) CTSLCTSBCTSSCTSKMMP1
SCHEMBL7364307 0.80 PPARG (0.33) PPARGPPARA
SCHEMBL6797431 0.79 TP53 (0.35) CTSLCTSBTP53PPARGPPARA
SCHEMBL6803689 0.78 LMNA (0.38) TP53AVPR1BPOLB

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

“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.