SCHEMBL6800302

SCHEMBL6800302

CC(C)(C)CCC(=O)N[C@@H](CCc1ccccc1)C(=O)c1oc(-c2ccccc2)nc1-c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSL P07711 3/20 0.41
CTSB P07858 3/20 0.41
CTSS P25774 3/20 0.41
CTSK P43235 3/20 0.41
TP53 P04637 3/20 0.38
PRSS1 P07477 1/20 0.38
CTSG P08311 1/20 0.38
CTRB1 P17538 1/20 0.38
CMA1 P23946 1/20 0.38
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
S1PR1 P21453 1/20 0.37
POLB P06746 2/20 0.36
DGAT1 O75907 1/20 0.36
GAA P10253 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
SCHEMBL6807155 0.88 CTSL (0.42) CTSLCTSBCTSSCTSKTP53
SCHEMBL6800298 0.83 TP53 (0.36) CTSLCTSBCTSSCTSKTP53
SCHEMBL6802903 0.83 CTSK (0.53) CTSLCTSBCTSSCTSKALDH1A1
SCHEMBL6799441 0.83 MEN1 (0.41) CTSLCTSBCTSSCTSKALDH1A1
SCHEMBL7246595 0.83 CTSC (0.38) CTSLCTSBCTSSCTSKTP53
SCHEMBL7246591 0.79 KDM4E (0.35) CTSLCTSBCTSSCTSKTP53
SCHEMBL6807151 0.78 TP53 (0.38) TP53ALDH1A1MAPTPOLBGAA
SCHEMBL7032568 0.78 MMP1 (0.41) CTSLCTSBCTSSCTSK
SCHEMBL7032566 0.76 TP53 (0.36) TP53ALDH1A1MAPTPOLBGAA
SCHEMBL7238076 0.73 MMP2 (0.44) CTSLCTSBCTSSCTSKMAPT

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 2 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-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.