SCHEMBL4574180

SCHEMBL4574180

CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)c(SCCN4CCCCC4)c3)nn2CCCN2CCC(NC(=O)O)CC2)C1

nearest known ligand 0.82

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CTSS P25774 20/20 0.82

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
SCHEMBL4517285 0.95 CTSS (0.82) CTSS
SCHEMBL13889199 0.93 CTSS (0.77) CTSS
SCHEMBL4532890 0.93 CTSS (0.86) CTSS
SCHEMBL4574074 0.92 CTSS (0.84) CTSS
SCHEMBL4574287 0.91 CTSS (0.83) CTSS
SCHEMBL4522533 0.91 CTSS (1.00) CTSS
SCHEMBL4529165 0.91 CTSS (1.00) CTSS
SCHEMBL4526297 0.91 CTSS (1.00) CTSS
SCHEMBL4526412 0.90 CTSS (0.98) CTSS
SCHEMBL4522582 0.89 CTSS (0.72) CTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008100621-A2 TETRAHYDRO-PYRAZOLO-PYRIDINE THIOETHER MODULATORS OF CATHEPSIN S SUNESIS PHARMACEUTICALS, INC. (US) 2008-08-21 WO claimed
WO-2008100621-A2 TETRAHYDRO-PYRAZOLO-PYRIDINE THIOETHER MODULATORS OF CATHEPSIN S SUNESIS PHARMACEUTICALS, INC. (US) 2008-08-21 WO disclosed