SCHEMBL5564141

SCHEMBL5564141

CC(=O)c1ccc(S(=O)(=O)Nc2ccc(F)cn2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.58
CA12 O43570 1/20 0.51
CA9 Q16790 1/20 0.51
MAPT P10636 3/20 0.50
HDAC3 O15379 2/20 0.50
HDAC4 P56524 2/20 0.50
HDAC1 Q13547 2/20 0.50
HDAC7 Q8WUI4 2/20 0.50
HDAC2 Q92769 2/20 0.50
HDAC10 Q969S8 2/20 0.50
HDAC11 Q96DB2 2/20 0.50
HDAC8 Q9BY41 2/20 0.50
HDAC6 Q9UBN7 2/20 0.50
HDAC9 Q9UKV0 2/20 0.50
HDAC5 Q9UQL6 2/20 0.50
KDM4E B2RXH2 2/20 0.50
HPGD P15428 1/20 0.50
SLC22A12 Q96S37 4/20 0.49
GAA P10253 1/20 0.49
TP53 P04637 1/20 0.49

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
SCHEMBL5560379 0.83 POLB (0.65) BRD4CA12CA9MAPTHDAC3
SCHEMBL5559592 0.83 MAPT (0.53) BRD4CA12CA9MAPTHDAC3
SCHEMBL1318958 0.82 KDM4E (0.64) BRD4KDM4ESLC22A12ALDH1A1
SCHEMBL4771765 0.81 HDAC3 (0.53) BRD4CA12CA9MAPTHDAC3
SCHEMBL5317017 0.81 HDAC3 (0.56) BRD4HDAC3HDAC4HDAC1HDAC7
SCHEMBL1093189 0.79 POLB (0.67) BRD4SLC22A12GAAALDH1A1
SCHEMBL5315898 0.78 KDM4E (0.64) KDM4EGAAL3MBTL1ALDH1A1KMT2A
SCHEMBL14057926 0.78 MAPT (0.74) CA12CA9MAPTHDAC3HDAC4
SCHEMBL5560159 0.77 KDM4E (0.71) BRD4CA12CA9KDM4EALDH1A1
SCHEMBL24845442 0.75 LMNA (0.55) BRD4KDM4EHPGDSLC22A12ALDH1A1

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 4 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 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 BRD4 998/4885CA12 1535/4885CA9 1619/4885
US-20070093453-A1 Sulfonamide-substituted chalcone derivatives and their use to treat diseases STS, HPSE, SULT1E1 BRD4 998/4885CA12 1535/4885CA9 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.