SCHEMBL5421295

SCHEMBL5421295

N#CCNC(=O)C(CCCc1ccccc1)CS(=O)(=O)Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 4/20 0.48
▸ MMP9 P14780 4/20 0.48
▸ MMP8 P22894 4/20 0.48
▸ CTSS P25774 10/20 0.47
▸ CTSK P43235 5/20 0.47
▸ CTSL P07711 7/20 0.47
▸ MMP1 P03956 3/20 0.47
▸ MMP3 P08254 3/20 0.47
▸ CTSB P07858 6/20 0.46

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
SCHEMBL5420007 0.89 CTSL (0.54) CTSSCTSKCTSLCTSB
SCHEMBL5423069 0.81 CTSS (0.59) CTSSCTSKCTSLCTSB
SCHEMBL7075232 0.81 MMP2 (0.60) MMP2MMP9MMP8MMP1MMP3
SCHEMBL6632265 0.80 CTSS (0.51) CTSSCTSKCTSLCTSB
SCHEMBL6629257 0.80 CTSS (0.49) CTSSCTSKCTSLCTSB
SCHEMBL6061747 0.80 CTSS (0.49) CTSSCTSKCTSLCTSB
SCHEMBL5415985 0.80 CTSS (0.58) CTSSCTSKCTSLCTSB
SCHEMBL5415699 0.79 CTSL (0.46) CTSSCTSKCTSLCTSB
SCHEMBL5415692 0.79 CTSL (0.46) CTSSCTSKCTSLCTSB
SCHEMBL5414780 0.79 CTSS (0.46) CTSSCTSKCTSLCTSB

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 8 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
EP-1383748-A2 NOVEL COMPOUNDS AND COMPOSITIONS AS CATHEPSIN INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2004-01-28 — — EP claimed
WO-2002051983-A2 NOVEL COMPOUNDS AND COMPOSITIONS AS CATHEPSIN INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-07-04 — — WO claimed
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
EP-1383748-A2 NOVEL COMPOUNDS AND COMPOSITIONS AS CATHEPSIN INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2004-01-28 — — EP disclosed
WO-2002051983-A2 NOVEL COMPOUNDS AND COMPOSITIONS AS CATHEPSIN INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-07-04 — — 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 MMP2 99/4885MMP9 160/4885MMP8 43/4885

“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.

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