SCHEMBL6040802

SCHEMBL6040802

C=C(C(=O)c1ccc(S(N)(=O)=O)cc1)c1cc(-c2cccs2)c(OC)cc1Oc1cccc(C)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 12/20 0.44
CA9 Q16790 8/20 0.44
LMNA P02545 2/20 0.37
CRHBP P24387 2/20 0.37
KMT2A Q03164 2/20 0.37
CRHR2 Q13324 2/20 0.37
TLR9 Q9NR96 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
CA1 P00915 6/20 0.36
PTGS2 P35354 2/20 0.35
CA4 P22748 3/20 0.35
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35
TUBA3C P0DPH7 1/20 0.35
TUBA1B P68363 1/20 0.35
TUBA4A P68366 1/20 0.35
TUBB4B P68371 1/20 0.35

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
SCHEMBL6040806 0.82 TNFRSF1A (0.51) CA2CA9CA1TNFRSF1A
SCHEMBL6040812 0.82 TNFRSF1A (0.51) CA2CA9CA1TNFRSF1A
SCHEMBL6040578 0.79 TNFRSF1A (0.47) CA2CA9MAPTCA1TNFRSF1A
SCHEMBL6040637 0.79 CA2 (0.41) CA2CA9KMT2AL3MBTL1MEN1
SCHEMBL6879563 0.78 TNFRSF1A (0.41) CA2CA9LMNAKMT2AL3MBTL1
SCHEMBL6040478 0.77 CA2 (0.40) CA2CA9CA1PTGS2CA4
SCHEMBL6040839 0.77 CA2 (0.40) CA2CA9CA1PTGS2CA4
SCHEMBL6040757 0.76 NPC1 (0.42) CA2CA9LMNAKMT2AMEN1
SCHEMBL6040501 0.75 CA2 (0.39) CA2CA9LMNAKMT2AMEN1
SCHEMBL4727715 0.75 TNFRSF1A (0.44) LMNAKMT2AL3MBTL1MEN1MAPT

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 2513/4885LMNA 1624/4885
US-20040181075-A1 Process of making chalcone derivatives CYP2B6, LSS, CYP2E1 CA2 2884/4885CA9 3827/4885LMNA 975/4885
US-20040048858-A1 Chalcone derivatives and their use to treat diseases CYP46A1, CYP11B1, HSD17B7 CA2 1739/4885CA9 2350/4885LMNA 1834/4885

“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.