SCHEMBL6040702

SCHEMBL6040702

COc1cc(OC)c(-c2cccnc2)cc1/C=C/C(=O)c1ccc(S(N)(=O)=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.51
CA1 P00915 3/20 0.51
CA2 P00918 3/20 0.51
CA12 O43570 1/20 0.51
CA9 Q16790 1/20 0.51
MKNK1 Q9BUB5 1/20 0.50
MKNK2 Q9HBH9 1/20 0.50
CYP1A1 P04798 7/20 0.49
CYP1B1 Q16678 7/20 0.49
CYP1A2 P05177 6/20 0.49
CYP3A4 P08684 3/20 0.49
CYP2D6 P10635 3/20 0.49
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PTPN1 P18031 5/20 0.47
DPP4 P27487 2/20 0.46

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
SCHEMBL6040705 1.00 ABCG2 (0.51) ABCG2CA1CA2CA12CA9
SCHEMBL6040585 0.80 ABCG2 (0.44) ABCG2CA1CA2CA12CA9
SCHEMBL6040588 0.80 ABCG2 (0.44) ABCG2CA1CA2CA12CA9
SCHEMBL6040694 0.77 CA2 (0.52) CA1CA2CA12CA9MKNK1
SCHEMBL5565649 0.77 TNFRSF1A (0.50) ABCG2CA1CA2CA12CA9
SCHEMBL5565645 0.77 TNFRSF1A (0.50) ABCG2CA1CA2CA12CA9
SCHEMBL6040565 0.76 TNFRSF1A (0.75) ABCG2CA1CA2CA9CYP1A1
SCHEMBL6040561 0.76 TNFRSF1A (0.75) ABCG2CA1CA2CA9CYP1A1
SCHEMBL6040665 0.76 ABCG2 (0.59) ABCG2CYP1A1CYP1B1MAPTSMN1; SMN2
SCHEMBL6040658 0.76 ABCG2 (0.59) ABCG2CYP1A1CYP1B1MAPTSMN1; SMN2

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 11 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
CN-1596240-A Chalcone derivatives and their use for the treatment of diseases ATHEROGENICS INC (US) 2005-03-16 CN 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 ABCG2 8/4885CA1 4731/4885CA2 1903/4885
US-20040181075-A1 Process of making chalcone derivatives CYP2B6, LSS, CYP2E1 ABCG2 178/4885CA1 4582/4885CA2 2884/4885
US-20040048858-A1 Chalcone derivatives and their use to treat diseases CYP46A1, CYP11B1, HSD17B7 ABCG2 35/4885CA1 4430/4885CA2 1739/4885

“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.