SCHEMBL6093577

SCHEMBL6093577

COC(=O)CN(C)S(=O)(=O)c1ccc(CC(C#N)(O[Si](C)(C)C(C)(C)C)c2c(OC)ccc(Br)c2OC)cc1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.37
MMP9 P14780 1/20 0.35
MMP13 P45452 1/20 0.35
RAB9A P51151 1/20 0.34
ALDH1A1 P00352 4/20 0.33
MMP3 P08254 1/20 0.33
MCOLN3 Q8TDD5 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAPK1 P28482 3/20 0.33
PKM P14618 1/20 0.32
KMT2A Q03164 2/20 0.31

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
SCHEMBL6093027 0.82 MAPT (0.35) RAB9AKMT2A
SCHEMBL6091627 0.78 HTT (0.37) RAB9AALDH1A1KMT2A
SCHEMBL6092286 0.73 POLB (0.34) ALDH1A1HSD17B10KMT2A
SCHEMBL6093531 0.72 IDO1 (0.32) KMT2A
SCHEMBL6093204 0.71 TDP1 (0.43) TDP1RAB9AALDH1A1MMP3MCOLN3
SCHEMBL6091521 0.70 PPARA (0.44) ALDH1A1KMT2A
SCHEMBL6091531 0.69 MAPT (0.36) ALDH1A1KMT2A
SCHEMBL6093390 0.64 MMP9 (0.46) MMP9MMP13RAB9AALDH1A1MAPK1
SCHEMBL19900168 0.64 ALDH1A1 (0.58) MMP9MMP13RAB9AALDH1A1MAPK1
SCHEMBL6090959 0.63 P4HB (0.38) RAB9AALDH1A1HSD17B10KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060063828-A1 1,2-Bis-(substituted-phenyl)-2-propen-1-ones and pharmaceutical compositions thereof ATHEROGENICS, INC. 2006-03-23 US disclosed
WO-2006004903-A2 1,2-BIS-(SUBSTITUTED-PHENYL)-2-PROPEN-1-ONES AND PHARMACEUTICAL COMPOSITIONS THEREOF ATHEROGENICS, INC. (US) 2006-01-12 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 (1 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-20060063828-A1 1,2-Bis-(substituted-phenyl)-2-propen-1-ones and pharmaceutical compositions thereof ABCB11, CEL, CYP46A1 TDP1 2855/4885MMP9 2936/4885MMP13 1596/4885

“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.