SCHEMBL5430968

SCHEMBL5430968

CC(C)(C)OC(=O)N1CCCC(NC(=O)C(CC(=O)N2CCOCC2)CS(=O)(=O)Cc2ccccc2)C(=O)C1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSK P43235 8/20 0.42
CTSS P25774 8/20 0.42
CTSL P07711 4/20 0.42
STS P08842 1/20 0.42
USP30 Q70CQ3 1/20 0.37
MC4R P32245 1/20 0.37
TMPRSS11D O60235 1/20 0.37
REN P00797 1/20 0.37
CTSB P07858 1/20 0.37

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
SCHEMBL5418128 0.93 CTSK (0.43) CTSKCTSSCTSLSTSMC4R
SCHEMBL5420643 0.90 CTSK (0.48) CTSKCTSSCTSLTMPRSS11DCTSB
SCHEMBL5414763 0.88 CTSS (0.37) CTSKCTSSCTSL
SCHEMBL5417268 0.87 CTSK (0.36) CTSKCTSSCTSLMC4R
SCHEMBL5421366 0.85 STS (0.42) CTSKCTSSCTSLSTSUSP30
SCHEMBL5414655 0.83 CTSK (0.43) CTSKCTSSCTSLTMPRSS11DCTSB
SCHEMBL5424782 0.82 STS (0.42) CTSKCTSSCTSLSTSUSP30
SCHEMBL6688297 0.77 CTSK (0.36) CTSKCTSSCTSLCTSB
SCHEMBL5458188 0.76 CTSK (0.54) CTSKCTSSCTSLCTSB
SCHEMBL14491110 0.76 CTSK (0.54) CTSKCTSSCTSLCTSB

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070049594-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2007-03-01 US claimed
US-20070049594-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2007-03-01 US disclosed
US-20070049594-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2007-03-01 US disclosed
US-20070049594-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2007-03-01 US disclosed
EP-1694357-A1 USE OF CATHEPSIN S INHIBITORS FOR TREATING AN IMMUNE RESPONSE CAUSED BY ADMINISTRATION OF A SMALL MOLECULE THERAPEUTIC OR BIOLOGIC AXYS PHARMACEUTICALS, INC. (US) 2006-08-30 EP disclosed
WO-2005058348-A1 USE OF CATHEPSIN S INHIBITORS FOR TREATING AN IMMUNE RESPONSE CAUSED BY ADMINISTRATION OF A SMALL MOLECULE THERAPEUTIC OR BIOLOGIC AXYS PHARMACEUTICALS, INC. (US) 2005-06-30 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 (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-20070049594-A1 Novel compounds and compositions as cathepsin inhibitors CTSS, CTSB, CTSE CTSK 8/4885CTSS 1/4885CTSL 11/4885

“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.