SCHEMBL6093199

SCHEMBL6093199

COC(=O)CNCS(=O)(=O)c1ccc(CC(=O)c2c(OC)ccc(Br)c2OC)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.37
ALDH1A1 P00352 4/20 0.36
GAA P10253 2/20 0.36
HPGD P15428 2/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
USP2 O75604 1/20 0.36
GRK2 P25098 2/20 0.36
POLB P06746 1/20 0.36
MMP2 P08253 1/20 0.35
ADAM17 P78536 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HTR1A P08908 1/20 0.35
ADRA2A P08913 1/20 0.35
CYP2D6 P10635 1/20 0.35
DRD2 P14416 1/20 0.35
ADRA2C P18825 1/20 0.35

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
SCHEMBL6092590 0.82 ERN1 (0.41) LMNAALDH1A1GAAKDM4ENPC1
SCHEMBL6093204 0.80 TDP1 (0.43) ALDH1A1RAB9AKMT2AMAPT
SCHEMBL6092876 0.76 MAPT (0.45) LMNAGAAHPGDKDM4ENPC1
SCHEMBL6091905 0.74 LMNA (0.51) LMNAALDH1A1GAAKDM4EMEN1
SCHEMBL6093387 0.73 ALDH1A1 (0.49) ALDH1A1GAAHPGDKDM4ENPC1
SCHEMBL6093551 0.72 PIK3CA (0.42) LMNAGAAHPGDSMN1; SMN2MEN1
SCHEMBL6093574 0.71 DRD2 (0.31) MMP2ADAM17DRD2
SCHEMBL6092756 0.67 TTR (0.48) LMNAALDH1A1KDM4ENPC1RAB9A
SCHEMBL27763436 0.67 ALDH1A1 (0.59) ALDH1A1GAAKDM4EUSP2MEN1
SCHEMBL6091945 0.66 MAPT (0.41) LMNAGAAHPGDSMN1; SMN2MEN1

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 LMNA 1688/4885ALDH1A1 159/4885GAA 504/4885

“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.