SCHEMBL4504396

SCHEMBL4504396

CCCCOc1ccc(S(=O)(=O)NC(C)CCc2ccccc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.73
POLB P06746 2/20 0.73
CYP1A2 P05177 1/20 0.69
CYP2C9 P11712 1/20 0.69
CYP2C19 P33261 1/20 0.69
SMN1; SMN2 Q16637 1/20 0.57
MMP13 P45452 2/20 0.53
MMP3 P08254 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.52
NR3C1 P04150 1/20 0.51
CA12 O43570 3/20 0.49
CA2 P00918 3/20 0.49
CA9 Q16790 3/20 0.49
CA1 P00915 2/20 0.48
CA7 P43166 2/20 0.48
KCNA5 P22460 1/20 0.48
ADAMTS4 O75173 1/20 0.47
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47

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 0.85 ALDH1A1 (0.81) ALDH1A1POLBCYP1A2CYP2C9CYP2C19
SCHEMBL4501291 0.84 ALDH1A1 (0.81) ALDH1A1POLBCYP1A2CYP2C9CYP2C19
SCHEMBL4504450 0.81 ALDH1A1 (0.73) ALDH1A1POLBCYP1A2CYP2C9CYP2C19
SCHEMBL13889012 0.80 ALDH1A1 (0.83) ALDH1A1POLBCYP1A2CYP2C9CYP2C19
SCHEMBL6323743 0.79 MMP13 (0.54) ALDH1A1POLBCYP1A2CYP2C9CYP2C19
SCHEMBL6320842 0.79 TSHR (0.53) POLBCYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL4513298 0.79 ALDH1A1 (0.81) ALDH1A1POLBCYP1A2CYP2C9CYP2C19
SCHEMBL4515726 0.79 ALDH1A1 (0.81) ALDH1A1POLBCYP1A2CYP2C9CYP2C19
SCHEMBL9942053 0.77 ALDH1A1 (0.72) ALDH1A1POLBCYP1A2CYP2C9CYP2C19
SCHEMBL4512039 0.77 ALDH1A1 (0.76) ALDH1A1POLBCYP1A2CYP2C9CYP2C19

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 3 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

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 2398/4885POLB 4298/4885CYP1A2 1231/4885

“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.