SCHEMBL5560061

SCHEMBL5560061

C=C(C(=O)c1ccc(S(=O)(=O)NC(C)(C)C(=O)O)cc1)c1cc(-c2cccs2)c(OC)cc1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNFRSF1A P19438 5/20 0.41
MAPT P10636 5/20 0.37
RXFP1 Q9HBX9 1/20 0.37
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KAT6A Q92794 1/20 0.34
ERN1 O75460 1/20 0.34
ABCB1 P08183 1/20 0.34
ACLY P53396 1/20 0.34
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
TUBA3C P0DPH7 1/20 0.33
TUBA1B P68363 1/20 0.33
TUBA4A P68366 1/20 0.33
TUBB4B P68371 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
SCHEMBL5560851 0.85 L3MBTL1 (0.39) TNFRSF1AMAPTRXFP1CA2CA9
SCHEMBL5566178 0.83 TNFRSF1A (0.39) TNFRSF1AMAPTRXFP1CA2CA9
SCHEMBL6879563 0.83 TNFRSF1A (0.41) TNFRSF1AMAPTRXFP1CA2CA9
SCHEMBL5561089 0.83 TNFRSF1A (0.39) TNFRSF1AMAPTRXFP1CA2CA9
SCHEMBL5564501 0.83 RXFP1 (0.39) TNFRSF1AMAPTRXFP1CA2CA9
SCHEMBL5566988 0.82 KMT2A (0.51) RXFP1MEN1KMT2AALDH1A1KDM4E
SCHEMBL6040670 0.82 TNFRSF1A (0.49) TNFRSF1AMAPTRXFP1MEN1KMT2A
SCHEMBL4727715 0.82 TNFRSF1A (0.44) TNFRSF1AMAPTRXFP1MEN1KMT2A
SCHEMBL5565370 0.82 MEN1 (0.51) RXFP1MEN1KMT2AALDH1A1
SCHEMBL5560946 0.81 RXFP1 (0.49) RXFP1MEN1KMT2AALDH1A1KDM4E

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 3941/4885MAPT 2572/4885RXFP1 4125/4885
US-20070093453-A1 Sulfonamide-substituted chalcone derivatives and their use to treat diseases STS, HPSE, SULT1E1 TNFRSF1A 3941/4885MAPT 2572/4885RXFP1 4125/4885

“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.