SCHEMBL4529463

SCHEMBL4529463

COc1ccccc1C1CCN(C[C@H](O)Cn2nc(-c3ccc(C(F)(F)F)c(SCCN4CCC(F)CC4)c3)c3c2CCNC3)CC1

nearest known ligand 0.77

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CTSS P25774 20/20 0.77

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
SCHEMBL4527739 0.96 CTSS (0.81) CTSS
SCHEMBL4536887 0.91 CTSS (0.77) CTSS
SCHEMBL4524741 0.89 CTSS (0.79) CTSS
SCHEMBL4524875 0.88 CTSS (0.82) CTSS
SCHEMBL4536892 0.88 CTSS (0.82) CTSS
SCHEMBL4528588 0.88 CTSS (0.89) CTSS
SCHEMBL4527283 0.88 CTSS (1.00) CTSS
SCHEMBL4534804 0.87 CTSS (1.00) CTSS
SCHEMBL4529936 0.87 CTSS (0.83) CTSS
SCHEMBL4513218 0.87 CTSS (1.00) 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.