SCHEMBL4515569

SCHEMBL4515569

COc1cc(C)c(S(=O)(=O)NC(C)CCc2ccccc2)c(C)c1C

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.68
ALDH1A1 P00352 4/20 0.57
POLB P06746 1/20 0.57
CYP1A2 P05177 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
F2 P00734 2/20 0.55
AVPR1B P47901 7/20 0.52
L3MBTL1 Q9Y468 1/20 0.50
G6PD P11413 1/20 0.50
TAS1R3 Q7RTX0 1/20 0.49
TAS1R1 Q7RTX1 1/20 0.49
LMNA P02545 1/20 0.47
HPGD P15428 1/20 0.47
NMT1 P30419 1/20 0.46

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
SCHEMBL4515265 0.81 NR3C1 (1.00) NR3C1ALDH1A1POLBCYP1A2CYP2C9
SCHEMBL4524698 0.81 NR3C1 (1.00) NR3C1ALDH1A1POLBCYP1A2CYP2C9
SCHEMBL4526256 0.79 F2 (0.60) ALDH1A1POLBF2AVPR1BL3MBTL1
SCHEMBL6435876 0.78 AVPR1B (0.69) POLBF2AVPR1B
SCHEMBL16502981 0.78 F2 (0.68) ALDH1A1CYP1A2CYP2C19F2AVPR1B
SCHEMBL6317447 0.77 AVPR1B (0.68) POLBF2AVPR1B
SCHEMBL6387250 0.77 F2 (0.53) F2AVPR1B
SCHEMBL6387247 0.77 F2 (0.53) F2AVPR1B
SCHEMBL3134215 0.74 NR3C1 (0.74) NR3C1
SCHEMBL16509566 0.73 NMT1 (0.62) ALDH1A1F2AVPR1BLMNANMT1

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 1/4885ALDH1A1 2398/4885POLB 4298/4885

“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.