SCHEMBL6040807

SCHEMBL6040807

COc1cc(/C=C/C(=O)c2ccc(NS(C)(=O)=O)cc2)cc(-c2cccs2)c1OC

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNFRSF1A P19438 7/20 0.64
KDM4E B2RXH2 3/20 0.53
MEN1 O00255 3/20 0.53
MAPT P10636 3/20 0.53
KMT2A Q03164 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
LMNA P02545 2/20 0.53
NPSR1 Q6W5P4 2/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
ALDH1A1 P00352 3/20 0.53
TP53 P04637 1/20 0.53
CYP3A4 P08684 1/20 0.53
HPGD P15428 1/20 0.53
CASP7 P55210 1/20 0.53
HSD17B10 Q99714 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
KRAS P01116 5/20 0.50
CA1 P00915 3/20 0.50
CA2 P00918 3/20 0.50

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
SCHEMBL6040813 1.00 TNFRSF1A (0.64) TNFRSF1AKDM4EMEN1MAPTKMT2A
SCHEMBL4728388 0.86 TNFRSF1A (0.74) TNFRSF1AKDM4EMEN1MAPTKMT2A
SCHEMBL4728384 0.86 TNFRSF1A (0.74) TNFRSF1AKDM4EMEN1MAPTKMT2A
SCHEMBL5960655 0.86 TNFRSF1A (0.76) TNFRSF1AKDM4EMEN1MAPTKMT2A
SCHEMBL5960653 0.86 TNFRSF1A (0.76) TNFRSF1AKDM4EMEN1MAPTKMT2A
SCHEMBL5571769 0.85 TNFRSF1A (0.81) TNFRSF1AKDM4EMEN1MAPTKMT2A
SCHEMBL5571761 0.85 TNFRSF1A (0.81) TNFRSF1AKDM4EMEN1MAPTKMT2A
SCHEMBL6040663 0.84 TNFRSF1A (0.63) TNFRSF1AKDM4EMEN1MAPTKMT2A
SCHEMBL6040668 0.84 TNFRSF1A (0.63) TNFRSF1AKDM4EMEN1MAPTKMT2A
SCHEMBL6040801 0.80 TNFRSF1A (0.45) TNFRSF1AKDM4EMEN1MAPTKMT2A

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 3846/4885KDM4E 2298/4885MEN1 1759/4885
US-20040048858-A1 Chalcone derivatives and their use to treat diseases CYP46A1, CYP11B1, HSD17B7 TNFRSF1A 3877/4885KDM4E 2896/4885MEN1 1050/4885

“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.