SCHEMBL4537778

SCHEMBL4537778

CC(=O)N1CCN(CCSc2cc(-c3nn(CC(O)CN4CCCC4)c4c3CN(S(C)(=O)=O)CC4)ccc2C(F)(F)F)CC1

nearest known ligand 0.99

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CTSS P25774 20/20 0.99

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
SCHEMBL4526303 1.00 CTSS (0.99) CTSS
SCHEMBL4529281 0.99 CTSS (1.00) CTSS
SCHEMBL4537005 0.99 CTSS (1.00) CTSS
SCHEMBL4532778 0.95 CTSS (0.89) CTSS
SCHEMBL4513668 0.94 CTSS (0.88) CTSS
SCHEMBL4515794 0.94 CTSS (0.92) CTSS
SCHEMBL4523349 0.94 CTSS (1.00) CTSS
SCHEMBL4516084 0.94 CTSS (1.00) CTSS
SCHEMBL4514684 0.94 CTSS (1.00) CTSS
SCHEMBL4537703 0.94 CTSS (0.88) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090099157-A1 TETRAHYDRO-PYRAZOLO-PYRIDINE THIOETHER MODULATORS OF CATHEPSIN S SUNESIS PHARMACEUTICALS, INC. 2009-04-16 US claimed

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-20090099157-A1 TETRAHYDRO-PYRAZOLO-PYRIDINE THIOETHER MODULATORS OF CATHEPSIN S CTSS, CTSE, CTSK CTSS 1/4885

“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.