SCHEMBL5560733

SCHEMBL5560733

COc1cc(OC)c(-c2cccs2)cc1C=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNFRSF1A P19438 7/20 0.57
ERN1 O75460 5/20 0.57
ALDH1A1 P00352 2/20 0.51
KDM4E B2RXH2 2/20 0.51
TSHR P16473 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
RPS6KB2 Q9UBS0 2/20 0.44
MAPT P10636 3/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
GAA P10253 1/20 0.41
NFKB1 P19838 1/20 0.41
RAB9A P51151 1/20 0.41
NFKB2 Q00653 1/20 0.41
KMT2A Q03164 1/20 0.41
RELA Q04206 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
RXFP1 Q9HBX9 1/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL6040725 0.89 ERN1 (0.50) TNFRSF1AERN1ALDH1A1KDM4ETSHR
SCHEMBL6040741 0.88 ERN1 (0.61) TNFRSF1AERN1ALDH1A1KDM4ETSHR
SCHEMBL5565309 0.87 ERN1 (0.60) TNFRSF1AERN1ALDH1A1KDM4ERPS6KB2
SCHEMBL5559926 0.85 ERN1 (0.49) TNFRSF1AERN1ALDH1A1KDM4ETSHR
SCHEMBL6040821 0.84 ERN1 (0.46) TNFRSF1AERN1ALDH1A1KDM4ETSHR
SCHEMBL6040762 0.84 TNFRSF1A (0.61) TNFRSF1AERN1ALDH1A1KDM4ETSHR
SCHEMBL6040825 0.84 ERN1 (0.46) TNFRSF1AERN1ALDH1A1KDM4ETSHR
SCHEMBL6040532 0.84 TNFRSF1A (0.67) TNFRSF1AERN1MAPTRXFP1
SCHEMBL6040722 0.84 ERN1 (0.46) TNFRSF1AERN1ALDH1A1KDM4ETSHR
SCHEMBL6040567 0.84 TNFRSF1A (0.49) TNFRSF1AERN1ALDH1A1MAPTGAA

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 16 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-7202247-B2 1,3-bis-(substituted-phenyl)-2-propyn-1-ones and their use to treat disorders ATHEROGENICS, INC. (US) 2007-04-10 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
CN-1596240-A Chalcone derivatives and their use for the treatment of diseases ATHEROGENICS INC (US) 2005-03-16 CN 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
US-20030232877-A1 1,3-Bis-(substituted-phenyl)-2-propyn-1-ones and their use to treat disorders CRABTREE ACQUISITION CO, LLC 2003-12-18 US disclosed
WO-2003053368-A2 CHALCONE DERIVATIVES AND THEIR USE TO TREAT DISEASES ATHEROGENICS, INC. (US) 2003-07-03 WO disclosed
WO-2003053359-A2 1,3-BIS-(SUBSTITUTED-PHENYL)-2-PROPYN-1-ONES AND THEIR USE TO TREAT DISORDERS 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 (6 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-20030232877-A1 1,3-Bis-(substituted-phenyl)-2-propyn-1-ones and their use to treat disorders SLC10A1, PKD1, ABCB11 TNFRSF1A 4867/4885ERN1 2413/4885ALDH1A1 111/4885
US-20060189549-A1 Chalcone derivatives and their use to treat diseases CYP46A1, HSD17B7, CYP11B2 TNFRSF1A 3846/4885ERN1 1752/4885ALDH1A1 1770/4885
US-20050049236-A1 Sulfonamide-substituted chalcone derivatives and their use to treat diseases STS, HPSE, SULT1E1 TNFRSF1A 3941/4885ERN1 2156/4885ALDH1A1 1653/4885
US-20040181075-A1 Process of making chalcone derivatives CYP2B6, LSS, CYP2E1 TNFRSF1A 3023/4885ERN1 2696/4885ALDH1A1 828/4885
US-20070093453-A1 Sulfonamide-substituted chalcone derivatives and their use to treat diseases STS, HPSE, SULT1E1 TNFRSF1A 3941/4885ERN1 2156/4885ALDH1A1 1653/4885
US-20040048858-A1 Chalcone derivatives and their use to treat diseases CYP46A1, CYP11B1, HSD17B7 TNFRSF1A 3877/4885ERN1 1076/4885ALDH1A1 792/4885

“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.