SCHEMBL4524994

SCHEMBL4524994

Cc1ccc(Oc2cccc(S(=O)(=O)NC(C)CCc3ccccc3)c2)cc1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.68
CYP1A2 P05177 1/20 0.63
CYP2C9 P11712 1/20 0.63
CYP2C19 P33261 1/20 0.63
POLB P06746 2/20 0.61
NR3C1 P04150 1/20 0.56
L3MBTL1 Q9Y468 2/20 0.53
GUSB P08236 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
PGR P06401 1/20 0.46
FFAR1 O14842 1/20 0.45
MMP13 P45452 1/20 0.45
CA12 O43570 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
HTT P42858 2/20 0.45
AKR1C3 P42330 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL4517771 0.86 ALDH1A1 (0.81) ALDH1A1CYP1A2CYP2C9CYP2C19POLB
SCHEMBL4525627 0.80 ALDH1A1 (0.59) ALDH1A1POLBSMN1; SMN2PGRFFAR1
SCHEMBL4517748 0.78 NR3C1 (0.61) ALDH1A1CYP1A2CYP2C9CYP2C19NR3C1
SCHEMBL16000127 0.76 PGR (0.56) ALDH1A1NR3C1PGRMMP13AKR1C3
SCHEMBL5274219 0.76 AKR1C3 (0.47) ALDH1A1CYP1A2CYP2C9CYP2C19L3MBTL1
SCHEMBL9942053 0.76 ALDH1A1 (0.72) ALDH1A1CYP1A2CYP2C9CYP2C19POLB
SCHEMBL4517780 0.74 ALDH1A1 (0.69) ALDH1A1CYP1A2CYP2C9CYP2C19POLB
SCHEMBL8738420 0.74 HTT (0.59) CYP1A2CYP2C9CYP2C19L3MBTL1SMN1; SMN2
SCHEMBL4504450 0.72 ALDH1A1 (0.73) ALDH1A1CYP1A2CYP2C9CYP2C19POLB
SCHEMBL4504396 0.72 ALDH1A1 (0.73) ALDH1A1CYP1A2CYP2C9CYP2C19POLB

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 ALDH1A1 2398/4885CYP1A2 1231/4885CYP2C9 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.