SCHEMBL5566145

SCHEMBL5566145

COc1cc(OC)c(-c2cccs2)cc1/C=C/C(=O)c1ccc(S(=O)(=O)NCCN2CCOCC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TNFRSF1A P19438 6/20 0.48
KEAP1 Q14145 2/20 0.45
NFE2L2 Q16236 2/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
ALDH1A1 P00352 2/20 0.45
MAPK1 P28482 2/20 0.45
PHGDH O43175 1/20 0.44
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
PTPN1 P18031 1/20 0.42
POLB P06746 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL5566146 1.00 TNFRSF1A (0.48) TNFRSF1AKEAP1NFE2L2SMN1; SMN2ALDH1A1
SCHEMBL14524494 0.86 TNFRSF1A (0.49) TNFRSF1AKEAP1NFE2L2ALDH1A1MEN1
SCHEMBL5565285 0.85 KEAP1 (0.45) KEAP1NFE2L2SMN1; SMN2ALDH1A1MAPK1
SCHEMBL5565290 0.85 KEAP1 (0.45) KEAP1NFE2L2SMN1; SMN2ALDH1A1MAPK1
SCHEMBL6040600 0.84 KEAP1 (0.48) TNFRSF1AKEAP1NFE2L2ALDH1A1PTPN1
SCHEMBL6040607 0.84 KEAP1 (0.48) TNFRSF1AKEAP1NFE2L2ALDH1A1PTPN1
SCHEMBL6045185 0.84 KEAP1 (0.53) TNFRSF1AKEAP1NFE2L2PTPN1
SCHEMBL6045183 0.84 KEAP1 (0.53) TNFRSF1AKEAP1NFE2L2PTPN1
SCHEMBL5566144 0.83 ALDH1A1 (0.45) SMN1; SMN2ALDH1A1MAPK1PHGDHMEN1
SCHEMBL5560859 0.82 TNFRSF1A (0.57) TNFRSF1ASMN1; SMN2MEN1LMNAGAA

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070093453-A1 Sulfonamide-substituted chalcone derivatives and their use to treat diseases ATHEROGENICS, INC. (US) 2007-04-26 US claimed
US-7173129-B2 Sulfonamide-substituted chalcone derivatives and their use to treat diseases ATHERO GENICS, INC. (US) 2007-02-06 US claimed
US-20050049236-A1 Sulfonamide-substituted chalcone derivatives and their use to treat diseases CRABTREE ACQUISITION CO, LLC 2005-03-03 US claimed
WO-2004108094-A2 SULFONAMIDE-SUBSTITUTED CHALCONE DERIVATIVES AND THEIR USE TO TREAT DISEASES ATHEROGENICS, INC. (US) 2004-12-16 WO claimed
US-20070093453-A1 Sulfonamide-substituted chalcone derivatives and their use to treat diseases ATHEROGENICS, INC. (US) 2007-04-26 US disclosed
US-20070093453-A1 Sulfonamide-substituted chalcone derivatives and their use to treat diseases ATHEROGENICS, INC. (US) 2007-04-26 US disclosed
US-7173129-B2 Sulfonamide-substituted chalcone derivatives and their use to treat diseases ATHERO GENICS, INC. (US) 2007-02-06 US disclosed
US-7173129-B2 Sulfonamide-substituted chalcone derivatives and their use to treat diseases ATHERO GENICS, INC. (US) 2007-02-06 US disclosed
US-20050049236-A1 Sulfonamide-substituted chalcone derivatives and their use to treat diseases CRABTREE ACQUISITION CO, LLC 2005-03-03 US disclosed
WO-2004108094-A2 SULFONAMIDE-SUBSTITUTED CHALCONE DERIVATIVES AND THEIR USE TO TREAT DISEASES ATHEROGENICS, INC. (US) 2004-12-16 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 (2 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-20050049236-A1 Sulfonamide-substituted chalcone derivatives and their use to treat diseases STS, HPSE, SULT1E1 TNFRSF1A 3941/4885KEAP1 1275/4885NFE2L2 660/4885
US-20070093453-A1 Sulfonamide-substituted chalcone derivatives and their use to treat diseases STS, HPSE, SULT1E1 TNFRSF1A 3941/4885KEAP1 1275/4885NFE2L2 660/4885

“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.