SCHEMBL5564202

SCHEMBL5564202

C=C(C(=O)c1ccc(S(=O)(=O)Nc2cc(C)on2)cc1)c1cc(-c2cccs2)c(OC)cc1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.49
CYP1A2 P05177 2/20 0.49
CYP2C9 P11712 2/20 0.49
TSHR P16473 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
POLB P06746 3/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
ALOX12 P18054 1/20 0.46
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 4/20 0.43
MAPK1 P28482 2/20 0.42
GAA P10253 2/20 0.42
MEN1 O00255 2/20 0.41
GBA1 P04062 1/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
NSD2 O96028 1/20 0.41
ADRA1A P35348 1/20 0.41

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
SCHEMBL5560084 0.99 HPGD (0.49) HPGDCYP1A2CYP2C9TSHRNPSR1
SCHEMBL5564344 0.92 NPC1 (0.45) HPGDCYP1A2CYP2C9TSHRNPSR1
SCHEMBL5559525 0.91 HPGD (0.43) HPGDCYP1A2CYP2C9TSHRNPSR1
SCHEMBL5565466 0.89 SCN9A (0.41) CA2CA9
SCHEMBL5560946 0.87 RXFP1 (0.49) HPGDNPSR1POLBALOX12KMT2A
Hydrochloric Acid SCHEMBL5566518 0.86 FLT3 (0.40) HPGDCYP1A2CYP2C9TSHRNPSR1
SCHEMBL5565448 0.86 CA2 (0.36) HPGDNPSR1POLBL3MBTL1ALOX12
SCHEMBL5566988 0.85 KMT2A (0.51) HPGDNPSR1POLBL3MBTL1ALOX12
SCHEMBL5565512 0.85 SLC22A12 (0.42) KMT2A
SCHEMBL5565133 0.85 HTT (0.46) CYP1A2TSHRPOLBCYP2D6CYP2C19

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 HPGD 845/4885CYP1A2 203/4885CYP2C9 262/4885
US-20070093453-A1 Sulfonamide-substituted chalcone derivatives and their use to treat diseases STS, HPSE, SULT1E1 HPGD 845/4885CYP1A2 203/4885CYP2C9 262/4885

“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.