SCHEMBL4083458

SCHEMBL4083458

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

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HMOX1 P09601 4/20 0.51
RBP4 P02753 4/20 0.48
MAPK1 P28482 2/20 0.46
MAPK3 P27361 1/20 0.46
MAP2K1 Q02750 1/20 0.46
CTSS P25774 5/20 0.41
MET P08581 3/20 0.41
FLT3 P36888 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
SCHEMBL5126874 0.86 HMOX1 (0.52) HMOX1RBP4MAPK1MAPK3MAP2K1
SCHEMBL4080008 0.85 HMOX1 (0.49) HMOX1RBP4MAPK1MAPK3MAP2K1
SCHEMBL4527352 0.83 HMOX1 (0.51) HMOX1RBP4MAPK1MAPK3MAP2K1
SCHEMBL2972760 0.81 RBP4 (0.52) HMOX1RBP4MAPK1MAPK3MAP2K1
SCHEMBL4519501 0.80 CTSS (0.54) CTSS
SCHEMBL4085391 0.79 MAPK1 (0.48) HMOX1MAPK1
SCHEMBL5257069 0.78 MAPK1 (0.63) HMOX1RBP4MAPK1MAPK3MAP2K1
SCHEMBL4531581 0.77 CTSS (0.70) CTSS
SCHEMBL4526096 0.77 CTSS (0.60) CTSS
SCHEMBL9889385 0.76 MAPT (0.55) MAPK1MAPK3MAP2K1METFLT3

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 4 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
WO-2008100635-A1 1- [3- (MONOCYCLIC AMINO) PROPYL] - 4, 5, 6, 7-TETRAHYDRO-1H-PYRAZOLO [4, 3-C] -PYRIDINES AS MODULATORS OF CATHEPSIN S SUNESIS PHARMACEUTICALS, INC. (US) 2008-08-21 WO disclosed
WO-2008100620-A2 BICYCLIC AMINOPROPYL TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S SUNESIS PHARMACEUTICALS, INC. (US) 2008-08-21 WO 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 HMOX1 2517/4885RBP4 3080/4885MAPK1 2735/4885
US-20090118274-A1 MONOCYCLIC AMINOPROPYL TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S CTSS, CTSK, CTSZ HMOX1 2401/4885RBP4 3546/4885MAPK1 2323/4885

“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.