SCHEMBL4517545

SCHEMBL4517545

C[C@@H](COc1cccc2ncccc12)NS(=O)(=O)c1cccc(C#N)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 9/20 1.00
GLO1 Q04760 1/20 0.44
SLC40A1 Q9NP59 1/20 0.44
S1PR1 P21453 1/20 0.40
HDAC1 Q13547 1/20 0.39
PIK3CD O00329 1/20 0.39
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
ACLY P53396 1/20 0.38

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
SCHEMBL13889062 0.84 NR3C1 (0.72) NR3C1GLO1SLC40A1
SCHEMBL4517669 0.83 NR3C1 (0.73) NR3C1
SCHEMBL4507730 0.79 NR3C1 (0.66) NR3C1S1PR1
SCHEMBL4516862 0.78 NR3C1 (1.00) NR3C1
SCHEMBL4519425 0.77 NR3C1 (0.63) NR3C1
SCHEMBL4521156 0.77 NR3C1 (0.63) NR3C1GLO1SLC40A1
SCHEMBL4515955 0.77 NR3C1 (0.66) NR3C1
SCHEMBL4501700 0.77 NR3C1 (1.00) NR3C1SLC40A1
SCHEMBL4521905 0.77 NR3C1 (0.74) NR3C1
SCHEMBL4515844 0.76 NR3C1 (1.00) NR3C1

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-20090093485-A1 Novel Sulphonamide Derivatives as Glucocorticoid Receptor Modulators for the Treatment of Inflammatory Diseases ASTRAZENECA AB (SE) 2009-04-09 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-20090093485-A1 Novel Sulphonamide Derivatives as Glucocorticoid Receptor Modulators for the Treatment of Inflammatory Diseases NR3C1, NR3C2, NR5A1 NR3C1 1/4885GLO1 2554/4885SLC40A1 2105/4885

“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.