SCHEMBL4517062

SCHEMBL4517062

Cc1nn(-c2ccc(F)cc2)c(C)c1S(=O)(=O)N[C@@H](C)COc1cccc2cnccc12

nearest known ligand 0.87

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 18/20 0.87
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
PGR P06401 1/20 0.41
P2RX7 Q99572 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTT P42858 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
SCHEMBL13889058 0.94 NR3C1 (0.88) NR3C1P2RX7
SCHEMBL4515058 0.93 NR3C1 (1.00) NR3C1
SCHEMBL4515936 0.87 NR3C1 (0.79) NR3C1CYP3A4CYP2D6
SCHEMBL4517776 0.86 NR3C1 (0.75) NR3C1CYP3A4CYP2D6
SCHEMBL4510389 0.79 NR3C1 (0.75) NR3C1CYP3A4P2RX7CYP2D6
SCHEMBL4520415 0.79 NR3C1 (1.00) NR3C1
SCHEMBL4527332 0.78 NR3C1 (0.71) NR3C1PGR
SCHEMBL4107265 0.77 NR3C1 (0.71) NR3C1CYP3A4CYP2C9PGR
SCHEMBL4512972 0.76 NR3C1 (0.66) NR3C1CYP3A4CYP2D6
SCHEMBL4525697 0.76 NR3C1 (0.66) NR3C1CYP3A4CYP2D6

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 1/4885CYP3A4 887/4885CYP2C9 368/4885

“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.