SCHEMBL5127331

SCHEMBL5127331

CC(C)(C)OC(=O)N1CCc2c(c(-c3ccc(Cl)c(I)c3)nn2CCCO)C1

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSS P25774 18/20 0.48
KCNK3 O14649 1/20 0.43
BRD4 O60885 1/20 0.40
CREBBP Q92793 1/20 0.40

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
SCHEMBL5131752 0.89 CTSS (0.44) CTSSKCNK3
SCHEMBL5130890 0.89 CTSS (0.63) CTSS
SCHEMBL5131616 0.88 CTSS (0.46) CTSSKCNK3BRD4CREBBP
SCHEMBL5123995 0.85 CTSS (0.44) CTSSKCNK3CREBBP
SCHEMBL2969873 0.82 CTSS (0.61) CTSSKCNK3BRD4CREBBP
SCHEMBL5131262 0.82 CTSS (0.55) CTSS
SCHEMBL5131266 0.82 CTSS (0.55) CTSS
SCHEMBL2980722 0.76 CTSS (0.47) CTSSKCNK3CREBBP
SCHEMBL4030200 0.76 MAPK1 (0.48) BRD4CREBBP
SCHEMBL2978891 0.75 CTSS (0.53) 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-20080200454-A1 CARBON-LINKED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S SUNESIS PHARMACEUTICALS, INC. 2008-08-21 US 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-20080200454-A1 CARBON-LINKED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S CTSS, CTSK, CTSZ CTSS 1/4885KCNK3 2242/4885BRD4 381/4885

“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.