SCHEMBL5566937

SCHEMBL5566937

COc1cc(OC)c(-c2cccs2)cc1/C=C/C(=O)c1ccc(S(=O)(=O)N2CCCCC2C(=O)O)cc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TNFRSF1A P19438 12/20 0.52
HTT P42858 3/20 0.47
ALDH1A1 P00352 2/20 0.47
TDP1 Q9NUW8 3/20 0.42
KDM4E B2RXH2 2/20 0.42
MEN1 O00255 2/20 0.42
TP53 P04637 2/20 0.42
ALOX15 P16050 2/20 0.42
KMT2A Q03164 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
USP2 O75604 2/20 0.42
TSHR P16473 2/20 0.42
LMNA P02545 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL5566939 1.00 TNFRSF1A (0.52) TNFRSF1AHTTALDH1A1TDP1KDM4E
SCHEMBL14524502 0.84 TNFRSF1A (0.52) TNFRSF1ASMN1; SMN2ABCG2
SCHEMBL14547399 0.83 TNFRSF1A (0.55) TNFRSF1AMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL5566935 0.82 HTT (0.48) HTTALDH1A1TDP1KDM4EMEN1
SCHEMBL5564513 0.81 TNFRSF1A (0.53) TNFRSF1AMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL5564506 0.81 TNFRSF1A (0.53) TNFRSF1AMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL6879569 0.80 TNFRSF1A (0.62) TNFRSF1AMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL4727721 0.78 TNFRSF1A (0.68) TNFRSF1AABCG2
SCHEMBL4727718 0.78 TNFRSF1A (0.68) TNFRSF1AABCG2
SCHEMBL5560854 0.76 TNFRSF1A (0.57) TNFRSF1AMEN1KMT2ASMN1; SMN2LMNA

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 3941/4885HTT 357/4885ALDH1A1 1653/4885
US-20070093453-A1 Sulfonamide-substituted chalcone derivatives and their use to treat diseases STS, HPSE, SULT1E1 TNFRSF1A 3941/4885HTT 357/4885ALDH1A1 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.