SCHEMBL6485872

SCHEMBL6485872

CC1COCC(=O)C1NC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSK P43235 8/20 0.57
CTSS P25774 7/20 0.57
CTSL P07711 6/20 0.57
CTSB P07858 3/20 0.57
CTSV O60911 2/20 0.51
USP30 Q70CQ3 2/20 0.50
CHRNB2 P17787 2/20 0.48
CHRNB4 P30926 2/20 0.48
CHRNA3 P32297 2/20 0.48
CHRNA4 P43681 2/20 0.48
GRIN1 Q05586 1/20 0.44
GRIN2A Q12879 1/20 0.44
GRM1 Q13255 1/20 0.44

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
SCHEMBL6485879 1.00 CTSK (0.57) CTSKCTSSCTSLCTSBCTSV
SCHEMBL6488824 0.99 CTSK (0.55) CTSKCTSSCTSLCTSBCTSV
SCHEMBL6488830 0.99 CTSK (0.55) CTSKCTSSCTSLCTSBCTSV
SCHEMBL6483630 0.89 CTSS (0.55) CTSKCTSSCTSLCTSBCTSV
SCHEMBL6483624 0.89 CTSS (0.55) CTSKCTSSCTSLCTSBCTSV
SCHEMBL6487184 0.88 CTSK (0.49) CTSKCTSSCTSLCTSBCTSV
SCHEMBL6484631 0.88 CTSK (0.53) CTSKCTSSCTSLCTSBCTSV
SCHEMBL6484623 0.88 CTSK (0.53) CTSKCTSSCTSLCTSBCTSV
SCHEMBL6485762 0.87 CTSK (0.53) CTSKCTSSCTSLCTSBCTSV
SCHEMBL6485772 0.87 CTSK (0.53) CTSKCTSSCTSLCTSBCTSV

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-20050020588-A1 Cysteine protease inhibitors PEPTIMMUNE, INC. 2005-01-27 US claimed
US-20030203900-A1 Cysteine protease inhibitors MEDIVIR UK LTD (GB) 2003-10-30 US claimed
EP-1345931-A2 CYSTEINE PROTEASE INHIBITORS Medivir UK Ltd (GB) 2003-09-24 EP claimed
WO-2002040462-A2 CYSTEINE PROTEASE INHIBITORS MEDIVIR UK LIMITED (GB) 2002-05-23 WO claimed
US-20050020588-A1 Cysteine protease inhibitors PEPTIMMUNE, INC. 2005-01-27 US disclosed
US-20030203900-A1 Cysteine protease inhibitors MEDIVIR UK LTD (GB) 2003-10-30 US disclosed
EP-1345931-A2 CYSTEINE PROTEASE INHIBITORS Medivir UK Ltd (GB) 2003-09-24 EP disclosed
WO-2002040462-A2 CYSTEINE PROTEASE INHIBITORS MEDIVIR UK LIMITED (GB) 2002-05-23 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-20050020588-A1 Cysteine protease inhibitors CTSS, CTSE, CTSV CTSK 4/4885CTSS 1/4885CTSL 11/4885
US-20030203900-A1 Cysteine protease inhibitors CTSS, CTSE, CTSV CTSK 4/4885CTSS 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.