SCHEMBL5513783

SCHEMBL5513783

N#CCNC(=O)C1(O[C@H](c2ccccc2)c2ccc(Br)cc2)CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSL P07711 9/20 0.51
CTSB P07858 8/20 0.51
CTSS P25774 8/20 0.51
CTSK P43235 6/20 0.47
NAAA Q02083 1/20 0.42

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
SCHEMBL5513786 1.00 CTSL (0.51) CTSLCTSBCTSSCTSKNAAA
SCHEMBL5516421 0.80 NAAA (0.43) NAAA
SCHEMBL3898239 0.70 CTSL (0.57) CTSLCTSBCTSSCTSK
SCHEMBL5508656 0.70 CTSK (0.58) CTSLCTSBCTSSCTSK
SCHEMBL5518535 0.70 CTSK (0.58) CTSLCTSBCTSSCTSK
SCHEMBL5512829 0.70 CTSK (0.58) CTSLCTSBCTSSCTSK
SCHEMBL5512832 0.70 CTSK (0.58) CTSLCTSBCTSSCTSK
SCHEMBL2156304 0.70 CTSK (0.66) CTSLCTSBCTSSCTSK
SCHEMBL27647527 0.68 CTSL (0.57) CTSLCTSBCTSSCTSK
SCHEMBL2156068 0.67 CTSK (0.66) CTSLCTSBCTSSCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060122268-A1 Cathepsin cysteine protease inhibitors MERCK CANADA INC. (CA) 2006-06-08 US claimed
EP-1537074-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA INC. (CA) 2005-06-08 EP claimed
WO-2004022526-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA & CO. (CA) 2004-03-18 WO claimed
US-7279478-B2 Cathepsin cysteine protease inhibitors MERCK FROSST CANADA & CO. (CA) 2007-10-09 US disclosed
US-20060122268-A1 Cathepsin cysteine protease inhibitors MERCK CANADA INC. (CA) 2006-06-08 US disclosed
EP-1537074-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA INC. (CA) 2005-06-08 EP disclosed
WO-2004022526-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA & CO. (CA) 2004-03-18 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-20060122268-A1 Cathepsin cysteine protease inhibitors CTSB, CTSS, CTSK CTSL 8/4885CTSB 1/4885CTSS 2/4885

“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.