SCHEMBL6040804

SCHEMBL6040804

NS(=O)(=O)c1ccc(C(=O)/C=C/c2ccc(-c3cccs3)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNFRSF1A P19438 7/20 0.58
HDAC2 Q92769 1/20 0.55
P4HB P07237 2/20 0.53
CA2 P00918 3/20 0.47
CA9 Q16790 3/20 0.47
CA1 P00915 2/20 0.47
CA12 O43570 1/20 0.47
MAOB P27338 1/20 0.46
STS P08842 1/20 0.44
MAPT P10636 2/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
NFKB1 P19838 1/20 0.44
RAB9A P51151 1/20 0.44
NFKB2 Q00653 1/20 0.44
KMT2A Q03164 1/20 0.44
RELA Q04206 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CA4 P22748 1/20 0.44
F3 P13726 1/20 0.42

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
SCHEMBL6040810 1.00 TNFRSF1A (0.58) TNFRSF1AHDAC2P4HBCA2CA9
SCHEMBL6040629 0.85 TNFRSF1A (0.63) TNFRSF1AHDAC2CA2CA1MAPT
SCHEMBL6040624 0.85 TNFRSF1A (0.63) TNFRSF1AHDAC2CA2CA1MAPT
SCHEMBL25190515 0.83 TNFRSF1A (0.65) TNFRSF1AHDAC2P4HBMAOBMAPT
SCHEMBL4727769 0.83 TNFRSF1A (0.65) TNFRSF1AHDAC2MAOBMAPTMEN1
SCHEMBL6040823 0.83 TNFRSF1A (0.65) TNFRSF1AHDAC2MAOBMAPTMEN1
SCHEMBL25202047 0.83 TNFRSF1A (0.65) TNFRSF1AHDAC2P4HBMAOBMAPT
SCHEMBL4727774 0.83 TNFRSF1A (0.65) TNFRSF1AHDAC2MAOBMAPTMEN1
SCHEMBL6040819 0.83 TNFRSF1A (0.65) TNFRSF1AHDAC2MAOBMAPTMEN1
SCHEMBL13296177 0.82 HDAC2 (0.64) TNFRSF1AHDAC2MAPTMEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (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-20060189549-A1 Chalcone derivatives and their use to treat diseases CYP46A1, HSD17B7, CYP11B2 TNFRSF1A 3846/4885HDAC2 484/4885P4HB 1540/4885
US-20040048858-A1 Chalcone derivatives and their use to treat diseases CYP46A1, CYP11B1, HSD17B7 TNFRSF1A 3877/4885HDAC2 512/4885P4HB 1492/4885

“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.