SCHEMBL6091799

SCHEMBL6091799

COc1ccc(-c2ccsc2)cc1CC(=O)c1ccc(C(=O)O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 1/20 0.43
TUBB4A P04350 1/20 0.43
TUBB P07437 1/20 0.43
TUBA3C P0DPH7 1/20 0.43
TUBA1B P68363 1/20 0.43
TUBA4A P68366 1/20 0.43
TUBB4B P68371 1/20 0.43
TUBB3 Q13509 1/20 0.43
TUBB2A Q13885 1/20 0.43
TUBB8 Q3ZCM7 1/20 0.43
TUBA3E Q6PEY2 1/20 0.43
TUBA1A Q71U36 1/20 0.43
TUBA1C Q9BQE3 1/20 0.43
TUBB6 Q9BUF5 1/20 0.43
TUBB2B Q9BVA1 1/20 0.43
TUBB1 Q9H4B7 1/20 0.43
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
ACMSD Q8TDX5 1/20 0.42
LTB4R Q15722 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
SCHEMBL6091489 0.89 HDAC1 (0.43) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL6091940 0.80 TNFRSF1A (0.52) HDAC1HDAC2L3MBTL1
SCHEMBL6093061 0.77 MKNK1 (0.56) LTB4RPPARGPPARDPPARA
SCHEMBL6091767 0.75 ACMSD (0.47) CHEK2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL4681039 0.75 ACMSD (0.63) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL6091040 0.74 TNFRSF1A (0.53) HDAC2LTB4RL3MBTL1ERN1NPC1
SCHEMBL8889222 0.74 LMNA (0.55) CHEK2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL6091606 0.73 PDGFRB (0.56) LTB4RPDE4APDE4BPDE4CPDE4D
SCHEMBL203627 0.72 LCK (0.59) CHEK2HDAC1HDAC2ACMSDCA12
SCHEMBL6091721 0.71 TNFRSF1A (0.54) PPARGPPARDPPARAL3MBTL1

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 CHEK2 4717/4885TUBB4A 2388/4885TUBB 1919/4885

“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.