SCHEMBL506609

SCHEMBL506609

CCCCCCCCCCCCCCNC(=O)C(CO)NC(C)=O

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 1/20 0.67
SIRT1 Q96EB6 1/20 0.67
MEN1 O00255 1/20 0.51
ALDH1A1 P00352 1/20 0.51
HPGD P15428 1/20 0.51
KMT2A Q03164 1/20 0.51
TLR2 O60603 2/20 0.51
EPHX1 P07099 6/20 0.49
RRM1 P23921 1/20 0.47
DPP7 Q9UHL4 1/20 0.47
LPAR3 Q9UBY5 4/20 0.47
NAAA Q02083 1/20 0.46
LPAR1 Q92633 2/20 0.46
GNAI3 P08754 1/20 0.45
GNAO1 P09471 1/20 0.45
GNAI1 P63096 1/20 0.45
MMP8 P22894 1/20 0.45

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
SCHEMBL506608 1.00 SIRT6 (0.67) SIRT6SIRT1MEN1ALDH1A1HPGD
SCHEMBL4949210 0.87 SIRT6 (0.51) SIRT6SIRT1TLR2EPHX1RRM1
SCHEMBL4948525 0.87 SIRT6 (0.51) SIRT6SIRT1TLR2EPHX1RRM1
SCHEMBL4950657 0.87 SIRT6 (0.51) SIRT6SIRT1TLR2EPHX1RRM1
SCHEMBL21126096 0.86 SIRT6 (0.49) SIRT6SIRT1MEN1ALDH1A1HPGD
SCHEMBL5656185 0.85 SIRT6 (0.65) SIRT6SIRT1MEN1ALDH1A1HPGD
SCHEMBL9306465 0.85 SIRT6 (0.49) SIRT6SIRT1TLR2EPHX1RRM1
SCHEMBL9306476 0.85 SIRT6 (0.49) SIRT6SIRT1TLR2EPHX1RRM1
SCHEMBL25021992 0.84 LPAR3 (0.65) MEN1KMT2ATLR2LPAR3NAAA
SCHEMBL14682789 0.83 SIRT6 (0.62) SIRT6SIRT1MEN1ALDH1A1HPGD

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 SIRT6 1838/4885SIRT1 2227/4885MEN1 132/4885

“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.