SCHEMBL4533839

SCHEMBL4533839

CC(C)N(C(=O)N1CCc2c(cnn2C[C@@H](O)CN2CCCCC2)C1)C(C)C

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.38
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
CTSS P25774 9/20 0.36
ABCB1 P08183 3/20 0.35
HSP90AA1 P07900 1/20 0.34
ATM Q13315 1/20 0.34
ALDH1A1 P00352 2/20 0.34
POLB P06746 1/20 0.34
CYP2D6 P10635 1/20 0.34

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
SCHEMBL4533844 1.00 HRH3 (0.38) HRH3KMT2AMEN1CTSSABCB1
SCHEMBL4522695 0.90 HRH3 (0.41) HRH3KMT2AMEN1CTSSABCB1
SCHEMBL4522700 0.90 HRH3 (0.41) HRH3KMT2AMEN1CTSSABCB1
SCHEMBL4523488 0.85 HRH3 (0.46) HRH3KMT2AMEN1CTSS
SCHEMBL4523482 0.85 HRH3 (0.46) HRH3KMT2AMEN1CTSS
SCHEMBL4528343 0.84 CTSS (0.42) KMT2AMEN1CTSSATMPOLB
SCHEMBL4528342 0.84 CTSS (0.42) KMT2AMEN1CTSSATMPOLB
SCHEMBL4537453 0.83 HRH3 (0.41) HRH3KMT2AMEN1
SCHEMBL4537456 0.83 HRH3 (0.41) HRH3KMT2AMEN1
SCHEMBL4531585 0.79 CTSS (0.38) KMT2AMEN1CTSSALDH1A1

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 HRH3 589/4885KMT2A 4175/4885MEN1 4868/4885

“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.