SCHEMBL5559533

SCHEMBL5559533

COc1cc(OCC(CO)CO)c(C=CC(=O)c2ccc(S(=O)(=O)Nc3cc(C)on3)cc2)cc1-c1cccs1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TNFRSF1A P19438 6/20 0.45
KMT2A Q03164 5/20 0.43
MEN1 O00255 3/20 0.43
GAA P10253 2/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
POLB P06746 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ALOX12 P18054 1/20 0.41
HPGD P15428 2/20 0.41
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
NPSR1 Q6W5P4 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
SCHEMBL5559531 1.00 TNFRSF1A (0.45) TNFRSF1AKMT2AMEN1GAALMNA
SCHEMBL5560086 0.91 MEN1 (0.52) TNFRSF1AKMT2AMEN1GAALMNA
SCHEMBL5564208 0.91 MEN1 (0.52) TNFRSF1AKMT2AMEN1GAALMNA
SCHEMBL5564206 0.91 MEN1 (0.52) TNFRSF1AKMT2AMEN1GAALMNA
SCHEMBL5564347 0.90 TNFRSF1A (0.46) TNFRSF1AKMT2AMEN1GAALMNA
SCHEMBL5564349 0.90 TNFRSF1A (0.46) TNFRSF1AKMT2AMEN1GAALMNA
SCHEMBL14524488 0.88 TNFRSF1A (0.47) TNFRSF1A
SCHEMBL14616004 0.84 KEAP1 (0.42) TNFRSF1AKMT2AMEN1GAALMNA
SCHEMBL5559525 0.84 HPGD (0.43) KMT2AMEN1GAAMAPTPOLB
SCHEMBL6040640 0.84 TNFRSF1A (0.52) TNFRSF1A

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 6 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
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-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

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 3941/4885KMT2A 3609/4885MEN1 2929/4885
US-20070093453-A1 Sulfonamide-substituted chalcone derivatives and their use to treat diseases STS, HPSE, SULT1E1 TNFRSF1A 3941/4885KMT2A 3609/4885MEN1 2929/4885

“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.