SCHEMBL5465880

SCHEMBL5465880

CS(=O)(=O)/N=C/SCNC(CC1CCCCC1)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 15/20 0.38
GRN P28799 1/20 0.37
SORT1 Q99523 1/20 0.37
CTSK P43235 3/20 0.34
CTSS P25774 1/20 0.34
CTSL P07711 1/20 0.34
CTSB P07858 1/20 0.34
CTSH P09668 1/20 0.34

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
SCHEMBL5465886 1.00 CPB2 (0.38) CPB2GRNSORT1CTSKCTSS
SCHEMBL7261246 0.82 CPB2 (0.40) CPB2GRNSORT1CTSKCTSS
SCHEMBL3615288 0.82 LTA4H (0.39) CPB2GRNSORT1CTSKCTSS
SCHEMBL3615291 0.82 LTA4H (0.39) CPB2GRNSORT1CTSKCTSS
SCHEMBL29855050 0.71 GRN (0.48) CPB2GRNSORT1CTSKCTSS
SCHEMBL17771955 0.71 GRN (0.48) CPB2GRNSORT1CTSKCTSS
SCHEMBL5946004 0.70 GRN (0.46) CPB2GRNSORT1CTSKCTSS
SCHEMBL5946011 0.70 GRN (0.46) CPB2GRNSORT1CTSKCTSS
SCHEMBL7260298 0.70 CTSK (0.35) CPB2CTSKCTSSCTSLCTSB
SCHEMBL30063688 0.68 GRN (0.46) CPB2GRNSORT1CTSKCTSS

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 CPB2 33/4885GRN 1041/4885SORT1 1294/4885

“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.