SCHEMBL5788070

SCHEMBL5788070

CS(=O)(=O)N1CCc2c(c(-c3ccc(Br)cc3)nn2CC(O)CN2CCC(N3C(=O)CCc4cccc(Cl)c43)CC2)C1

nearest known ligand 0.80

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CTSS P25774 20/20 0.80
CD74 P04233 16/20 0.80

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
SCHEMBL4718217 0.92 CTSS (0.80) CTSSCD74
SCHEMBL5532050 0.89 CTSS (1.00) CTSSCD74
SCHEMBL5787751 0.88 CTSS (0.65) CTSSCD74
SCHEMBL1988915 0.86 CTSS (1.00) CTSSCD74
SCHEMBL5532235 0.82 CTSS (1.00) CTSSCD74
SCHEMBL5528511 0.82 CTSS (0.90) CTSSCD74
SCHEMBL5533892 0.82 CTSS (1.00) CTSSCD74
SCHEMBL5534975 0.81 CTSS (1.00) CTSSCD74
SCHEMBL4715556 0.81 CTSS (1.00) CTSSCD74
SCHEMBL5528100 0.81 CTSS (1.00) CTSSCD74

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1309593-B1 SUBSTITUTED PYRAZOLES ORTHO MCNEIL PHARM INC (US) 2006-03-15 EP claimed
US-20170333368-A1 Paediatric Compositions For Treating Multiple Sclerosis NOVARTIS AG (CH) 2017-11-23 US disclosed
US-20170128389-A1 Paediatric Compositions For Treating Multiple Sclerosis NOVARTIS AG (CH) 2017-05-11 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-20170333368-A1 Paediatric Compositions For Treating Multiple Sclerosis SMN1; SMN2, PMP22, CFTR CTSS 2266/4885CD74 193/4885
US-20170128389-A1 Paediatric Compositions For Treating Multiple Sclerosis SMN1; SMN2, PMP22, CFTR CTSS 2185/4885CD74 152/4885

“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.