SCHEMBL5534402

SCHEMBL5534402

CN(C(=O)C(CC1CCCCC1)C(=O)O)C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.39
CTSL P07711 2/20 0.39
CTSB P07858 2/20 0.39
CTSH P09668 1/20 0.39
CTSS P25774 1/20 0.39
CPB2 Q96IY4 2/20 0.37
LTA4H P09960 1/20 0.36
ATM Q13315 1/20 0.36
NPY5R Q15761 1/20 0.34

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
SCHEMBL5523667 0.83 CTSK (0.40) CTSKCTSLCTSBCTSHLTA4H
SCHEMBL5523324 0.82 CTSK (0.56) CTSKCTSLCTSBCTSHCTSS
SCHEMBL1733951 0.76 SLC1A3 (0.44) LTA4H
SCHEMBL5525570 0.76 PSEN1 (0.40) CTSKCTSLCTSBCTSHLTA4H
SCHEMBL5529805 0.74 LTA4H (0.39) CTSKCTSLCTSBCTSHCPB2
SCHEMBL1733993 0.74 SLC1A3 (0.42) CPB2LTA4H
SCHEMBL5525962 0.74 PSEN1 (0.47) CTSKCTSLCTSBATM
SCHEMBL5529256 0.71 ATM (0.56) CTSKCTSLCTSBCTSSATM
SCHEMBL13423682 0.70 LTA4H (0.40) CTSKCTSLCTSBCTSHCTSS
SCHEMBL8703007 0.70 CTSK (0.41) CTSKCTSLCTSBCTSHCPB2

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-20070232654-A1 Novel Compounds and Compositions as Cathepsin Inhibitors AXYS PHARMACEUTICALS, INC. (US) 2007-10-04 US disclosed
EP-1399146-A4 NOVEL COMPOUNDS AND COMPOSITIONS AS CATHEPSIN INHIBITORS AXYS PHARM INC (US) 2006-01-18 EP disclosed
US-20040147503-A1 Antiarthritic agents; muscular dystrophy; antiinflammatory agents; antitumor agents; glomerulonephritis AXYS PHARMACEUTICALS, INC. 2004-07-29 US disclosed
EP-1399146-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS CATHEPSIN INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2004-03-24 EP disclosed
WO-2002098406-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS CATHEPSIN INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-12-12 WO 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-20070232654-A1 Novel Compounds and Compositions as Cathepsin Inhibitors CTSS, CTSB, CTSE CTSK 8/4885CTSL 11/4885CTSB 2/4885
US-20040147503-A1 Antiarthritic agents; muscular dystrophy; antiinflammatory agents; antitumor agents; glomerulonephritis CAPNS1, CTSS, CTSV CTSK 14/4885CTSL 19/4885CTSB 7/4885

“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.