SCHEMBL5564809

SCHEMBL5564809

COc1cc(OC)c(/C=C/C(=O)c2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc1C#Cc1ccccc1N

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
LMNA P02545 1/20 0.51
GAA P10253 1/20 0.51
MAPT P10636 1/20 0.51
BRD4 O60885 1/20 0.46
MAPK1 P28482 1/20 0.46
KDR P35968 6/20 0.45
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 2/20 0.44
SLC7A11 Q9UPY5 2/20 0.44
RXFP1 Q9HBX9 2/20 0.43
POLB P06746 1/20 0.43
ABCG2 Q9UNQ0 1/20 0.43

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
SCHEMBL5564810 1.00 MEN1 (0.51) MEN1KMT2ASMN1; SMN2LMNAGAA
SCHEMBL5565292 0.84 ABCG2 (0.51) MEN1KMT2ASMN1; SMN2LMNAGAA
SCHEMBL5565287 0.84 ABCG2 (0.51) MEN1KMT2ASMN1; SMN2LMNAGAA
SCHEMBL5560023 0.83 MAPT (0.48) MEN1KMT2ASMN1; SMN2LMNAGAA
SCHEMBL5560030 0.83 MAPT (0.48) MEN1KMT2ASMN1; SMN2LMNAGAA
SCHEMBL5564806 0.81 KMT2A (0.46) MEN1KMT2ASMN1; SMN2LMNAMAPT
SCHEMBL5559878 0.79 CYP19A1 (0.50) MEN1KMT2ASMN1; SMN2LMNAGAA
SCHEMBL5559876 0.79 CYP19A1 (0.50) MEN1KMT2ASMN1; SMN2LMNAGAA
SCHEMBL5560194 0.78 MEN1 (0.52) MEN1KMT2ASMN1; SMN2LMNAGAA
SCHEMBL5560192 0.78 MEN1 (0.52) MEN1KMT2ASMN1; SMN2LMNAGAA

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 MEN1 2929/4885KMT2A 3609/4885SMN1; SMN2 1575/4885
US-20070093453-A1 Sulfonamide-substituted chalcone derivatives and their use to treat diseases STS, HPSE, SULT1E1 MEN1 2929/4885KMT2A 3609/4885SMN1; SMN2 1575/4885

“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.