SCHEMBL506569

SCHEMBL506569

CCCCCCCCCCCCCCNC(=O)C(CO)NCc1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TLR2 O60603 6/20 0.72
NAAA Q02083 3/20 0.56
HPGD P15428 2/20 0.52
ALDH1A1 P00352 2/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
EPHX2 P34913 1/20 0.51
EPHX1 P07099 3/20 0.48
HTT P42858 1/20 0.48

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
SCHEMBL506469 1.00 TLR2 (0.72) TLR2NAAAHPGDALDH1A1MEN1
SCHEMBL19839570 0.86 TLR2 (0.83) TLR2NAAAHPGDALDH1A1MEN1
SCHEMBL19839567 0.86 TLR2 (0.83) TLR2NAAAHPGDALDH1A1MEN1
SCHEMBL19839595 0.86 TLR2 (0.83) TLR2NAAAHPGDALDH1A1MEN1
SCHEMBL19839594 0.86 TLR2 (0.83) TLR2NAAAHPGDALDH1A1MEN1
SCHEMBL28872770 0.85 TLR2 (0.77) TLR2NAAAHPGDALDH1A1MEN1
SCHEMBL19851740 0.84 TLR2 (1.00) TLR2NAAA
SCHEMBL19851717 0.84 TLR2 (1.00) TLR2NAAA
SCHEMBL506861 0.84 TLR2 (0.53) TLR2NAAAHPGDALDH1A1MEN1
SCHEMBL506862 0.84 TLR2 (0.53) TLR2NAAAHPGDALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8853452-B2 Compounds, their syntheses, compositions, and methods to treat cancer THE ADMINISTRATORS OF THE TULANE EDUCATIONAL FUND (US) 2014-10-07 US disclosed
US-20120027844-A1 COMPOUNDS, THEIR SYNTHESES, COMPOSITIONS, AND METHODS TO TREAT CANCER XAVIER UNIVERSITY OF LOUISIANA (US) 2012-02-02 US disclosed
WO-2010093615-A2 COMPOUNDS, THEIR SYNTHESES, COMPOSITIONS, AND METHODS TO TREAT CANCER TULANE UNIVERSITY (US) 2010-08-19 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-20120027844-A1 COMPOUNDS, THEIR SYNTHESES, COMPOSITIONS, AND METHODS TO TREAT CANCER SGMS1, PHOSPHO1, MCL1 TLR2 4454/4885NAAA 987/4885HPGD 1841/4885

“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.