SCHEMBL5480069

SCHEMBL5480069

CC[C@@H](NC(=O)[C@@H](CC1CCCCC1)NC(=NS(C)(=O)=O)SC)C(O)c1nc2ccccc2o1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSS P25774 12/20 0.40
CTSL P07711 6/20 0.40
CTSK P43235 5/20 0.36
REN P00797 4/20 0.35
USP30 Q70CQ3 2/20 0.34
PSMB5 P28074 1/20 0.33
CTSB P07858 1/20 0.33

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
SCHEMBL5480075 1.00 CTSS (0.40) CTSSCTSLCTSKRENUSP30
SCHEMBL5945990 0.90 CTSS (0.40) CTSSCTSLCTSKRENPSMB5
SCHEMBL5945985 0.90 CTSS (0.40) CTSSCTSLCTSKRENPSMB5
SCHEMBL5946006 0.89 CTSS (0.39) CTSSCTSLCTSKRENUSP30
SCHEMBL5946001 0.89 CTSS (0.39) CTSSCTSLCTSKRENUSP30
SCHEMBL5461192 0.87 CTSS (0.40) CTSSCTSLCTSKRENCTSB
SCHEMBL5471927 0.87 CTSS (0.40) CTSSCTSLCTSKRENCTSB
SCHEMBL5461194 0.87 CTSS (0.40) CTSSCTSLCTSKRENCTSB
SCHEMBL5946098 0.85 CTSS (0.40) CTSSCTSLCTSKREN
SCHEMBL5946093 0.85 CTSS (0.40) CTSSCTSLCTSKREN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070105892-A1 Amidino compounds as cysteine protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2007-05-10 US disclosed
EP-1697355-A2 AMIDINO COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2006-09-06 EP disclosed
WO-2005063742-A2 AMIDINO COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2005-07-14 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-20070105892-A1 Amidino compounds as cysteine protease inhibitors CTSF, CTSB, CTSS CTSS 3/4885CTSL 9/4885CTSK 4/4885

“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.