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Sugi Predict / Compounds / SCHEMBL4519749

SCHEMBL4519749

SCHEMBL4519749

Cc1nn(C(F)F)c(C)c1S(=O)(=O)N[C@@H](C)COc1ccccc1C(N)=O

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 9/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ HTT P42858 3/20 0.40
▸ PARP1 P09874 1/20 0.38
▸ LMNA P02545 3/20 0.37
▸ MAPT P10636 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ IRAK4 Q9NWZ3 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ NR1I2 O75469 1/20 0.35
▸ CHRM2 P08172 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ ADRA2A P08913 1/20 0.35
▸ OPRK1 P41145 1/20 0.35
▸ HTR2B P41595 1/20 0.35
▸ SLC6A3 Q01959 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL4517755 0.78 NR3C1 (0.61) NR3C1L3MBTL1HTT
SCHEMBL4512981 0.78 NR3C1 (0.61) NR3C1L3MBTL1HTT
SCHEMBL4512045 0.73 L3MBTL1 (0.55) NR3C1L3MBTL1HTTPARP1LMNA
SCHEMBL4512042 0.72 NR3C1 (0.60) NR3C1L3MBTL1HTTPARP1KMT2A
SCHEMBL4511719 0.71 PARP1 (0.46) NR3C1L3MBTL1HTTPARP1LMNA
SCHEMBL4517020 0.71 HTT (0.44) NR3C1L3MBTL1HTTPARP1LMNA
SCHEMBL4520609 0.70 GAA (0.53) L3MBTL1HTTPARP1MAPTADRA2A
SCHEMBL4520876 0.69 NR3C1 (0.55) NR3C1
SCHEMBL5322474 0.69 NR3C1 (0.55) NR3C1
SCHEMBL4506597 0.69 NR3C1 (0.55) 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 5 patents. 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
US-20090093485-A1 Novel Sulphonamide Derivatives as Glucocorticoid Receptor Modulators for the Treatment of Inflammatory Diseases ASTRAZENECA AB (SE) 2009-04-09 — — US disclosed
US-20090093485-A1 Novel Sulphonamide Derivatives as Glucocorticoid Receptor Modulators for the Treatment of Inflammatory Diseases ASTRAZENECA AB (SE) 2009-04-09 — — US disclosed
EP-1807391-A1 NOVEL SULPHONAMIDE DERIVATIVES AS GLUCOCORTICOID RECEPTOR MODULATORS FOR THE TREATMENT OF INFLAMMATORY DISEASES AstraZeneca AB (SE) 2007-07-18 — — EP disclosed
WO-2006046916-A1 NOVEL SULPHONAMIDE DERIVATIVES AS GLUCOCORTICOID RECEPTOR MODULATORS FOR THE TREATMENT OF INFLAMMATORY DISEASES ASTRAZENECA AB (SE) 2006-05-04 — — 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 (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 1/4885L3MBTL1 4844/4885HTT 3337/4885

“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.