SCHEMBL5576244

SCHEMBL5576244

COc1cc(OC)c(-c2cccs2)cc1C=CC(=O)c1cc(OC)c(O)c(OC)c1

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TNFRSF1A P19438 18/20 0.68
ABCG2 Q9UNQ0 1/20 0.51
SNCA P37840 1/20 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
SCHEMBL5576239 1.00 TNFRSF1A (0.68) TNFRSF1AABCG2SNCA
SCHEMBL5571805 0.91 TNFRSF1A (0.74) TNFRSF1AABCG2
SCHEMBL5571808 0.91 TNFRSF1A (0.74) TNFRSF1AABCG2
SCHEMBL4727718 0.87 TNFRSF1A (0.68) TNFRSF1AABCG2
SCHEMBL4727721 0.87 TNFRSF1A (0.68) TNFRSF1AABCG2
SCHEMBL6040847 0.85 TNFRSF1A (0.65) TNFRSF1A
SCHEMBL6040850 0.85 TNFRSF1A (0.65) TNFRSF1A
SCHEMBL5574915 0.85 TNFRSF1A (0.76) TNFRSF1A
SCHEMBL5574918 0.85 TNFRSF1A (0.76) TNFRSF1A
SCHEMBL5574941 0.84 TNFRSF1A (0.75) TNFRSF1A

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-20060258735-A1 1,3-Bis-(substituted-phenyl)-2-propen-1-ones and their use to treat VCAM-1 mediated disorders MENG CHARLES Q 2006-11-16 US claimed
US-20030236298-A1 1,3-bis-(substituted-phenyl)-2-propen-1-ones and their use to treat VCAM-1 mediated disorders ATHEROGENICS PHARMACEUTICALS, INC. 2003-12-25 US claimed
US-6608101-B1 Inflammatory disorders; 3-(2,4-dimethoxy-5-(thien-2-yl)phenyl)-1-(4-carboxymethoxy-3,5 -dimethoxyphenyl)-2-propen-1-one; ATHEROGENICS, INC. 2003-08-19 US claimed
US-7247714-B2 Protection against oxidative stress and inflammation by a cytoprotective response element ATHEROGENICS, INC. (US) 2007-07-24 US disclosed
US-20060258735-A1 1,3-Bis-(substituted-phenyl)-2-propen-1-ones and their use to treat VCAM-1 mediated disorders MENG CHARLES Q 2006-11-16 US disclosed
US-7078431-B2 1,3-bis-(substituted-phenyl)-2-propen-1-ones and their use to treat VCAM-1 mediated disorders ATHEROGENICS, INC. (US) 2006-07-18 US disclosed
US-20040023233-A1 Protection against oxidative stress and inflammation by a cytoprotective response element CRABTREE ACQUISITION CO, LLC 2004-02-05 US disclosed
US-20030236298-A1 1,3-bis-(substituted-phenyl)-2-propen-1-ones and their use to treat VCAM-1 mediated disorders ATHEROGENICS PHARMACEUTICALS, INC. 2003-12-25 US disclosed
US-6608101-B1 Inflammatory disorders; 3-(2,4-dimethoxy-5-(thien-2-yl)phenyl)-1-(4-carboxymethoxy-3,5 -dimethoxyphenyl)-2-propen-1-one; ATHEROGENICS, INC. 2003-08-19 US disclosed
EP-1330448-A2 1,3-BIS-(SUBSTITUTED-PHENYL)-2-PROPEN-1-ONES AND THEIR USE TO TREAT VCAM-1 MEDIATED DISORDERS Atherogenics, Inc. (US) 2003-07-30 EP disclosed
WO-2003033662-A2 PROTECTION AGAINST OXIDATIVE STRESS AND INFLAMMATION BY A CYTOPROTECTIVE RESPONSE ELEMENT ATHEROGENICS, INC. (US) 2003-04-24 WO disclosed
WO-2001098291-A2 1,3-BIS-(SUBSTITUTED-PHENYL)-2-PROPEN-1-ONES AND THEIR USE TO TREAT VCAM-1 MEDIATED DISORDERS ATHEROGENICS, INC. (US) 2001-12-27 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-20040023233-A1 Protection against oxidative stress and inflammation by a cytoprotective response element ATF4, HSF1, DDIT3 TNFRSF1A 1169/4885ABCG2 4478/4885SNCA 3777/4885
US-20030236298-A1 1,3-bis-(substituted-phenyl)-2-propen-1-ones and their use to treat VCAM-1 mediated disorders VCAM1, ICAM1, ITGB1 TNFRSF1A 183/4885ABCG2 2245/4885SNCA 1327/4885
US-20060258735-A1 1,3-Bis-(substituted-phenyl)-2-propen-1-ones and their use to treat VCAM-1 mediated disorders VCAM1, ICAM1, ITGB1 TNFRSF1A 183/4885ABCG2 2245/4885SNCA 1327/4885

“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.