SCHEMBL6040694

SCHEMBL6040694

C=C(C(=O)c1ccc(S(N)(=O)=O)cc1)c1cc(-c2cccnc2)c(OC)cc1OC

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.52
CA9 Q16790 6/20 0.52
CA12 O43570 5/20 0.52
CA1 P00915 5/20 0.52
MKNK1 Q9BUB5 2/20 0.51
MKNK2 Q9HBH9 2/20 0.51
CYP11B1 P15538 3/20 0.41
CYP11B2 P19099 3/20 0.41
KLK3 P07288 3/20 0.41
F12 P00748 2/20 0.41
ABCB1 P08183 1/20 0.41
ABCC1 P33527 1/20 0.41
ABL1 P00519 1/20 0.41
DYRK1A Q13627 1/20 0.40
F2 P00734 1/20 0.40
POLB P06746 1/20 0.40
CYP19A1 P11511 1/20 0.39

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
SCHEMBL6040580 0.80 CA1 (0.38) CA2CA9CA12CA1POLB
SCHEMBL6040702 0.77 ABCG2 (0.51) CA2CA9CA12CA1MKNK1
SCHEMBL6040705 0.77 ABCG2 (0.51) CA2CA9CA12CA1MKNK1
SCHEMBL6040555 0.76 TNFRSF1A (0.50) CA2CA9CA12CA1POLB
SCHEMBL5565638 0.76 CA2 (0.47) CA2CA9CA12CA1POLB
SCHEMBL6040652 0.76 AR (0.43) CA2CA9CA12CA1MKNK1
SCHEMBL6040934 0.75 CA2 (0.41) CA2CA9CA12CA1
SCHEMBL6095302 0.74 MKNK1 (0.54) MKNK1MKNK2CYP11B1CYP11B2ABCB1
SCHEMBL6040655 0.73 CA1 (0.37) CA2CA9CA12CA1POLB
SCHEMBL5564885 0.72 PKM (0.49)

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 2513/4885CA12 3437/4885
US-20040181075-A1 Process of making chalcone derivatives CYP2B6, LSS, CYP2E1 CA2 2884/4885CA9 3827/4885CA12 4275/4885
US-20040048858-A1 Chalcone derivatives and their use to treat diseases CYP46A1, CYP11B1, HSD17B7 CA2 1739/4885CA9 2350/4885CA12 3318/4885

“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.