SCHEMBL4527352

SCHEMBL4527352

CS(=O)(=O)N1CCc2[nH]nc(-c3ccc(C(F)(F)F)c([N+](=O)[O-])c3)c2C1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HMOX1 P09601 4/20 0.51
RBP4 P02753 4/20 0.47
MAPK1 P28482 2/20 0.44
MAPK3 P27361 1/20 0.44
MAP2K1 Q02750 1/20 0.44
MET P08581 4/20 0.42
KIF11 P52732 1/20 0.40
CTSS P25774 4/20 0.40
FLT3 P36888 1/20 0.39

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
SCHEMBL4083458 0.83 HMOX1 (0.51) HMOX1RBP4MAPK1MAPK3MAP2K1
SCHEMBL4514777 0.80 MAPK1 (0.47) HMOX1RBP4MAPK1MET
SCHEMBL4519501 0.78 CTSS (0.54) CTSS
SCHEMBL5257069 0.76 MAPK1 (0.63) HMOX1RBP4MAPK1MAPK3MAP2K1
SCHEMBL4531581 0.76 CTSS (0.70) CTSS
SCHEMBL4086151 0.76 RBP4 (0.49) HMOX1RBP4MAPK1METCTSS
SCHEMBL4526096 0.75 CTSS (0.60) CTSS
SCHEMBL9889385 0.75 MAPT (0.55) MAPK1MAPK3MAP2K1METFLT3
SCHEMBL4713595 0.74 MET (0.50) HMOX1MAPK1MAPK3MAP2K1MET
SCHEMBL4532938 0.73 MET (0.50) HMOX1RBP4MAPK1MAPK3MAP2K1

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 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-20090099157-A1 TETRAHYDRO-PYRAZOLO-PYRIDINE THIOETHER MODULATORS OF CATHEPSIN S CTSS, CTSE, CTSK HMOX1 1683/4885RBP4 2644/4885MAPK1 2966/4885

“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.