SCHEMBL5559684

SCHEMBL5559684

C=C(C(=O)c1ccc(S(=O)(=O)NC(=O)OCC)cc1)c1cc(-c2cc3ccccc3[nH]2)c(OC)cc1OC

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.42
SMN1; SMN2 Q16637 5/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 2/20 0.39
HPGD P15428 2/20 0.39
RAB9A P51151 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
KCNQ2 O43526 1/20 0.35
LGALS8 O00214 1/20 0.34
LGALS3 P17931 1/20 0.34
CNR1 P21554 1/20 0.34
TP53 P04637 2/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL5565541 0.99 ALOX15 (0.41) ALOX15SMN1; SMN2ALDH1A1MAPTKDM4E
SCHEMBL5560109 0.90 KDM4E (0.40) ALOX15SMN1; SMN2ALDH1A1MAPTKDM4E
SCHEMBL5566222 0.89 KDM4E (0.39) ALOX15SMN1; SMN2ALDH1A1MAPTKDM4E
SCHEMBL5559825 0.89 ALDH1A1 (0.42) ALOX15SMN1; SMN2ALDH1A1MAPTKDM4E
SCHEMBL5564766 0.89 KDM4E (0.39) ALOX15SMN1; SMN2ALDH1A1MAPTKDM4E
SCHEMBL5564774 0.88 ALDH1A1 (0.41) ALOX15SMN1; SMN2ALDH1A1MAPTKDM4E
SCHEMBL5566693 0.88 KDM4E (0.38) ALOX15SMN1; SMN2ALDH1A1MAPTKDM4E
SCHEMBL5560099 0.87 ALDH1A1 (0.40) ALOX15SMN1; SMN2ALDH1A1MAPTKDM4E
SCHEMBL5565348 0.86 ALDH1A1 (0.39) ALOX15SMN1; SMN2ALDH1A1MAPTKDM4E
SCHEMBL5566299 0.86 KAT6A (0.39) ALOX15SMN1; SMN2ALDH1A1MAPTKDM4E

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 7 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
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-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 ALOX15 2433/4885SMN1; SMN2 1575/4885ALDH1A1 1653/4885
US-20070093453-A1 Sulfonamide-substituted chalcone derivatives and their use to treat diseases STS, HPSE, SULT1E1 ALOX15 2433/4885SMN1; SMN2 1575/4885ALDH1A1 1653/4885

“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.