SCHEMBL5565400

SCHEMBL5565400

CC(=O)c1ccc(S(=O)(=O)Nc2cc(C)no2)cc1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 1/20 0.68
FFAR4 Q5NUL3 1/20 0.56
MAPT P10636 5/20 0.54
HPGD P15428 3/20 0.54
CA12 O43570 1/20 0.51
CA9 Q16790 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
LMNA P02545 3/20 0.50
KMT2A Q03164 4/20 0.49
ALDH1A1 P00352 4/20 0.48
MEN1 O00255 3/20 0.48
ALOX12 P18054 1/20 0.48
POLB P06746 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CYP2C9 P11712 1/20 0.46
TP53 P04637 1/20 0.46
CCR9 P51686 1/20 0.46

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
SCHEMBL29659727 0.81 EDNRA (1.00) EDNRAMAPTL3MBTL1LMNAKMT2A
SCHEMBL7211420 0.81 EDNRA (0.74) EDNRAMAPTALDH1A1TP53
SCHEMBL7217887 0.80 EDNRA (0.72) EDNRAFFAR4MAPTPOLBTP53
SCHEMBL5565268 0.79 ALDH1A1 (0.68) MAPTL3MBTL1KMT2AALDH1A1MEN1
SCHEMBL7217783 0.76 EDNRA (0.65) EDNRAFFAR4MAPTKMT2AALDH1A1
SCHEMBL3153875 0.75 SCN3A (0.61) EDNRAMAPTLMNAKMT2AMEN1
SCHEMBL7211689 0.75 EDNRA (0.64) EDNRAMAPTTP53
SCHEMBL7212749 0.75 EDNRA (0.64) EDNRAMAPTTP53
SCHEMBL27508434 0.75 EDNRA (0.64) EDNRAMAPTCA12CA9L3MBTL1
SCHEMBL6151676 0.74 EDNRA (0.62) EDNRAMAPTCA12CA9L3MBTL1

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 EDNRA 850/4885FFAR4 1899/4885MAPT 2572/4885
US-20070093453-A1 Sulfonamide-substituted chalcone derivatives and their use to treat diseases STS, HPSE, SULT1E1 EDNRA 850/4885FFAR4 1899/4885MAPT 2572/4885

“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.