SCHEMBL5566993

SCHEMBL5566993

COc1cc(OC)c(-c2cccs2)cc1C=CC(=O)c1ccc(S(=O)(=O)Nc2ncccn2)cc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TNFRSF1A P19438 13/20 0.54
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
LMNA P02545 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
GAA P10253 1/20 0.53
MAPT P10636 1/20 0.53
THRB P10828 2/20 0.50
HPGD P15428 2/20 0.50
ALDH1A1 P00352 1/20 0.50
TP53 P04637 1/20 0.50
KDM4E B2RXH2 1/20 0.47
POLB P06746 2/20 0.46
MAPK1 P28482 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
ABCG2 Q9UNQ0 1/20 0.45

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
SCHEMBL5566991 1.00 TNFRSF1A (0.54) TNFRSF1AKMT2AMEN1LMNASMN1; SMN2
SCHEMBL5560950 0.92 TNFRSF1A (0.53) TNFRSF1AKMT2AMEN1LMNASMN1; SMN2
SCHEMBL5560953 0.92 TNFRSF1A (0.53) TNFRSF1AKMT2AMEN1LMNASMN1; SMN2
SCHEMBL5565372 0.90 TNFRSF1A (0.53) TNFRSF1AKMT2AMEN1LMNASMN1; SMN2
SCHEMBL5565374 0.90 TNFRSF1A (0.53) TNFRSF1AKMT2AMEN1LMNASMN1; SMN2
SCHEMBL5565519 0.86 TNFRSF1A (0.53) TNFRSF1AKMT2AMEN1LMNASMN1; SMN2
SCHEMBL5565138 0.86 TNFRSF1A (0.51) TNFRSF1AKMT2AMEN1LMNASMN1; SMN2
SCHEMBL5565136 0.86 TNFRSF1A (0.51) TNFRSF1AKMT2AMEN1LMNASMN1; SMN2
SCHEMBL5565521 0.86 TNFRSF1A (0.53) TNFRSF1AKMT2AMEN1LMNASMN1; SMN2
SCHEMBL14524479 0.86 TNFRSF1A (0.56) TNFRSF1AABCG2

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 8 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-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 3941/4885KMT2A 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.