SCHEMBL4084428

SCHEMBL4084428

CS(=O)(=O)C(C1CO1)N1CCc2[nH]nc(-c3ccc(Cl)c(CNC(=O)c4ccc(F)cc4)c3)c2C1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MET P08581 8/20 0.46
MAPK1 P28482 1/20 0.40
CTSS P25774 5/20 0.39
DPP4 P27487 1/20 0.39
DPP8 Q6V1X1 1/20 0.39
DPP9 Q86TI2 1/20 0.39
DPP7 Q9UHL4 1/20 0.39
RBP4 P02753 1/20 0.37
ROCK2 O75116 1/20 0.36
ROCK1 Q13464 1/20 0.36

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
SCHEMBL4090591 0.84 MET (0.57) METMAPK1DPP4DPP8DPP9
SCHEMBL1164183 0.74 MAPK1 (0.41) METMAPK1RBP4
SCHEMBL4086151 0.74 RBP4 (0.49) METMAPK1CTSSDPP4DPP8
SCHEMBL4084425 0.72 CTSS (0.49) CTSS
SCHEMBL4090657 0.66 CTSS (0.58) CTSS
SCHEMBL4086108 0.65 CTSS (0.59) CTSS
SCHEMBL4094306 0.65 CTSS (0.60) CTSS
SCHEMBL4080410 0.65 CTSS (0.57) CTSS
SCHEMBL4093739 0.64 HMOX1 (0.50) METMAPK1RBP4
SCHEMBL4085879 0.64 CTSS (0.59) 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
US-20090118274-A1 MONOCYCLIC AMINOPROPYL TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S SUNESIS PHARMACEUTICALS, INC. 2009-05-07 US disclosed
US-20080269241-A1 BICYCLIC AMINOPROPYL TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S SUNESIS PHARMACEUTICALS, INC. 2008-10-30 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 (2 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-20080269241-A1 BICYCLIC AMINOPROPYL TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S CTSS, CTSK, CTSZ MET 4449/4885MAPK1 2735/4885CTSS 1/4885
US-20090118274-A1 MONOCYCLIC AMINOPROPYL TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S CTSS, CTSK, CTSZ MET 3516/4885MAPK1 2323/4885CTSS 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.