SCHEMBL5565309

SCHEMBL5565309

COc1cc(O)c(C=O)cc1-c1cccs1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 10/20 0.60
TNFRSF1A P19438 6/20 0.51
TRIM24 O15164 1/20 0.42
TYR P14679 1/20 0.42
TRIM33 Q9UPN9 1/20 0.42
TLR2 O60603 1/20 0.42
TLR1 Q15399 1/20 0.42
TLR6 Q9Y2C9 1/20 0.42
RPS6KB2 Q9UBS0 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
PPARG P37231 1/20 0.41
KMT2A Q03164 1/20 0.41
NCOA2 Q15596 1/20 0.41
NCOA1 Q15788 1/20 0.41

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
SCHEMBL6040741 0.90 ERN1 (0.61) ERN1TNFRSF1ATLR2TLR1TLR6
SCHEMBL5560733 0.87 TNFRSF1A (0.57) ERN1TNFRSF1ARPS6KB2KDM4EMEN1
SCHEMBL6744773 0.80 ERN1 (0.58) ERN1TNFRSF1ARPS6KB2KDM4EALDH1A1
SCHEMBL5559926 0.79 ERN1 (0.49) ERN1TNFRSF1AKDM4EALDH1A1MAPT
SCHEMBL2780877 0.78 RPS6KB2 (0.56) ERN1TNFRSF1ARPS6KB2KDM4EMEN1
SCHEMBL6040532 0.78 TNFRSF1A (0.67) ERN1TNFRSF1AMAPT
SCHEMBL6040567 0.78 TNFRSF1A (0.49) ERN1TNFRSF1AALDH1A1GAAMAPT
SCHEMBL6040715 0.78 TNFRSF1A (0.61) TNFRSF1A
SCHEMBL6040711 0.78 TNFRSF1A (0.61) TNFRSF1A
SCHEMBL6040725 0.77 ERN1 (0.50) ERN1TNFRSF1ARPS6KB2KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070093453-A1 Sulfonamide-substituted chalcone derivatives and their use to treat diseases ATHEROGENICS, INC. (US) 2007-04-26 US disclosed
US-7173129-B2 Sulfonamide-substituted chalcone derivatives and their use to treat diseases ATHERO GENICS, INC. (US) 2007-02-06 US disclosed
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
US-20050049236-A1 Sulfonamide-substituted chalcone derivatives and their use to treat diseases CRABTREE ACQUISITION CO, LLC 2005-03-03 US disclosed
WO-2004108094-A2 SULFONAMIDE-SUBSTITUTED CHALCONE DERIVATIVES AND THEIR USE TO TREAT DISEASES ATHEROGENICS, INC. (US) 2004-12-16 WO 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 (5 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 ERN1 1752/4885TNFRSF1A 3846/4885TRIM24 4717/4885
US-20050049236-A1 Sulfonamide-substituted chalcone derivatives and their use to treat diseases STS, HPSE, SULT1E1 ERN1 2156/4885TNFRSF1A 3941/4885TRIM24 4807/4885
US-20040181075-A1 Process of making chalcone derivatives CYP2B6, LSS, CYP2E1 ERN1 2696/4885TNFRSF1A 3023/4885TRIM24 4453/4885
US-20070093453-A1 Sulfonamide-substituted chalcone derivatives and their use to treat diseases STS, HPSE, SULT1E1 ERN1 2156/4885TNFRSF1A 3941/4885TRIM24 4807/4885
US-20040048858-A1 Chalcone derivatives and their use to treat diseases CYP46A1, CYP11B1, HSD17B7 ERN1 1076/4885TNFRSF1A 3877/4885TRIM24 4615/4885

“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.