SCHEMBL6040501

SCHEMBL6040501

C=C(C(=O)c1ccc(S(N)(=O)=O)cc1)c1cc(-c2cccs2)c(OC)cc1OCn1nnc2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 9/20 0.39
CA9 Q16790 7/20 0.39
CA1 P00915 6/20 0.39
CA4 P22748 5/20 0.39
MAPT P10636 3/20 0.38
HSD17B10 Q99714 2/20 0.38
MGAM O43451 1/20 0.37
AMY1A P0DUB6 1/20 0.37
GAA P10253 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
ALDH1A1 P00352 3/20 0.35
HPGD P15428 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 1/20 0.35
KDM4E B2RXH2 3/20 0.35
PTGS2 P35354 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
TSHR P16473 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
SCHEMBL6040503 0.83 TNFRSF1A (0.47) CA2CA1MAPTALDH1A1HPGD
SCHEMBL6040507 0.83 TNFRSF1A (0.47) CA2CA1MAPTALDH1A1HPGD
SCHEMBL6040757 0.81 NPC1 (0.42) CA2CA9MAPTHSD17B10GAA
SCHEMBL6040578 0.81 TNFRSF1A (0.47) CA2CA9CA1MAPTKDM4E
SCHEMBL6040637 0.79 CA2 (0.41) CA2CA9CA1CA4MAPT
SCHEMBL6040839 0.79 CA2 (0.40) CA2CA9CA1CA4PTGS2
SCHEMBL6040596 0.77 CA2 (0.46) CA2CA9CA1GAAALDH1A1
SCHEMBL6040478 0.76 CA2 (0.40) CA2CA9CA1CA4PTGS2
SCHEMBL6045177 0.76 HRH3 (0.47) CA2CA9CA1MAPTALDH1A1
SCHEMBL6040802 0.75 CA2 (0.44) CA2CA9CA1CA4MAPT

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040181075-A1 Process of making chalcone derivatives GENERAL ELECTRIC COMPANY 2004-09-16 US claimed
WO-2004056727-A2 PROCESS OF MAKING CHALCONE DERIVATIVES ATHEROGENICS, INC. (US) 2004-07-08 WO claimed
US-20060189549-A1 Chalcone derivatives and their use to treat diseases NI LIMING 2006-08-24 US disclosed
US-7094801-B2 Chalcone derivatives and their use to treat diseases ATHEROGENICS, INC. (US) 2006-08-22 US disclosed
EP-1465854-A4 CHALCONE DERIVATIVES AND THEIR USE TO TREAT DISEASES ATHEROGENICS INC (US) 2005-06-08 EP disclosed
EP-1465854-A2 CHALCONE DERIVATIVES AND THEIR USE TO TREAT DISEASES Atherogenics, Inc. (US) 2004-10-13 EP disclosed
US-20040181075-A1 Process of making chalcone derivatives GENERAL ELECTRIC COMPANY 2004-09-16 US disclosed
WO-2004056727-A2 PROCESS OF MAKING CHALCONE DERIVATIVES ATHEROGENICS, INC. (US) 2004-07-08 WO disclosed
US-20040048858-A1 Chalcone derivatives and their use to treat diseases CRABTREE ACQUISITION CO, LLC 2004-03-11 US disclosed
WO-2003053368-A2 CHALCONE DERIVATIVES AND THEIR USE TO TREAT DISEASES ATHEROGENICS, INC. (US) 2003-07-03 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 (3 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-20060189549-A1 Chalcone derivatives and their use to treat diseases CYP46A1, HSD17B7, CYP11B2 CA2 1903/4885CA9 2513/4885CA1 4731/4885
US-20040181075-A1 Process of making chalcone derivatives CYP2B6, LSS, CYP2E1 CA2 2884/4885CA9 3827/4885CA1 4582/4885
US-20040048858-A1 Chalcone derivatives and their use to treat diseases CYP46A1, CYP11B1, HSD17B7 CA2 1739/4885CA9 2350/4885CA1 4430/4885

“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.