SCHEMBL13660780

SCHEMBL13660780

COc1cc(C)c(S(=O)(=O)N(CCOCC(=O)OC(C)(C)C)Cc2cccnc2)c(C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
BDKRB1 P46663 3/20 0.42
ALDH1A1 P00352 3/20 0.42
MMP9 P14780 9/20 0.41
MMP1 P03956 5/20 0.41
MMP13 P45452 5/20 0.41
ADAM17 P78536 5/20 0.41
PTGER2 P43116 2/20 0.41
LMNA P02545 2/20 0.41
MEN1 O00255 1/20 0.41
CPB1 P15086 1/20 0.41
KMT2A Q03164 1/20 0.41
CXCR3 P49682 1/20 0.40
NAMPT P43490 1/20 0.40
MMP2 P08253 3/20 0.40
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL10246026 0.89 TAS2R14 (0.43) BDKRB1CXCR3
SCHEMBL4299477 0.88 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DBDKRB1
SCHEMBL13660781 0.87 ALDH1A1 (0.47) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL10246224 0.83 HIF1A (0.40) BDKRB1LMNA
SCHEMBL13660782 0.81 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL12317319 0.80 TAS2R14 (0.43) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL12340033 0.80 BDKRB1 (0.41) BDKRB1
SCHEMBL493626 0.77 BDKRB1 (0.47) BDKRB1CXCR3
SCHEMBL3440314 0.77 BDKRB1 (0.59) BDKRB1
SCHEMBL10246423 0.77 BDKRB1 (0.39) BDKRB1MEN1KMT2A

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-8318769-B2 Substituted sulfonamide compounds GRUENETHAL GMBH (DE) 2012-11-27 US disclosed
US-20090264400-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-22 US disclosed
WO-2009124733-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES GRUENENTHAL GMBH (DE) 2009-10-15 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-20090264400-A1 Substituted Sulfonamide Compounds BDKRB1, BDKRB2, TRPV1 PDE4A 2233/4885PDE4B 2812/4885PDE4C 3113/4885

“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.