SCHEMBL5561089

SCHEMBL5561089

C=C(C(=O)c1ccc(S(=O)(=O)NCC(F)(F)F)cc1)c1cc(-c2cccs2)c(OC)cc1OC.[NaH]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNFRSF1A P19438 3/20 0.39
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
IDH2 P48735 3/20 0.36
MAPT P10636 6/20 0.36
RXFP1 Q9HBX9 1/20 0.36
TP53 P04637 3/20 0.35
TDP1 Q9NUW8 2/20 0.35
ABCB1 P08183 1/20 0.35
ALDH1A1 P00352 3/20 0.34
POLB P06746 2/20 0.34
KDM4E B2RXH2 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TUBB4A P04350 1/20 0.34
TUBB P07437 1/20 0.34
TUBA3C P0DPH7 1/20 0.34
TUBA1B P68363 1/20 0.34
TUBA4A P68366 1/20 0.34

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
SCHEMBL5566178 0.99 TNFRSF1A (0.39) TNFRSF1ACA2CA9IDH2MAPT
SCHEMBL5560851 0.87 L3MBTL1 (0.39) TNFRSF1ACA2CA9MAPTRXFP1
SCHEMBL5560061 0.83 TNFRSF1A (0.41) TNFRSF1ACA2CA9MAPTRXFP1
SCHEMBL5566988 0.83 KMT2A (0.51) RXFP1TP53TDP1ALDH1A1POLB
SCHEMBL6879563 0.82 TNFRSF1A (0.41) TNFRSF1ACA2CA9MAPTRXFP1
SCHEMBL5564885 0.81 PKM (0.49) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL5560048 0.81 TNFRSF1A (0.42) TNFRSF1A
SCHEMBL5565370 0.80 MEN1 (0.51) RXFP1ALDH1A1POLBMEN1KMT2A
SCHEMBL5566144 0.80 ALDH1A1 (0.45) ALDH1A1POLBKDM4EMEN1KMT2A
SCHEMBL5566181 0.80 TNFRSF1A (0.60) TNFRSF1AMAPTMEN1KMT2ASMN1; SMN2

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 3941/4885CA2 899/4885CA9 1619/4885
US-20070093453-A1 Sulfonamide-substituted chalcone derivatives and their use to treat diseases STS, HPSE, SULT1E1 TNFRSF1A 3941/4885CA2 899/4885CA9 1619/4885

“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.