SCHEMBL506060

SCHEMBL506060

CCCCCCCCCCCCCCNC(=O)[C@H](CO)NC(=O)c1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NAAA Q02083 3/20 0.65
▸ L3MBTL1 Q9Y468 2/20 0.54
▸ GRIA1 P42261 1/20 0.52
▸ TLR2 O60603 1/20 0.50
▸ MEN1 O00255 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ HDAC3 O15379 3/20 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
SCHEMBL506059 1.00 NAAA (0.65) NAAAL3MBTL1GRIA1TLR2MEN1
SCHEMBL14279160 0.86 NAAA (0.60) NAAAL3MBTL1GRIA1TLR2MEN1
SCHEMBL11796137 0.83 GRIA1 (0.75) L3MBTL1GRIA1
SCHEMBL2244966 0.81 L3MBTL1 (0.60) NAAAL3MBTL1MEN1ALDH1A1HPGD
SCHEMBL2247187 0.81 L3MBTL1 (0.60) NAAAL3MBTL1MEN1ALDH1A1HPGD
SCHEMBL14279162 0.81 L3MBTL1 (0.53) NAAAL3MBTL1HDAC3
SCHEMBL15657782 0.81 NAAA (0.63) NAAAL3MBTL1ALDH1A1HDAC3
SCHEMBL15660301 0.81 NAAA (0.63) NAAAL3MBTL1ALDH1A1HDAC3
SCHEMBL15660841 0.81 NAAA (0.63) NAAAL3MBTL1TLR2ALDH1A1HDAC3
SCHEMBL15660766 0.81 NAAA (0.63) NAAAL3MBTL1ALDH1A1HDAC3

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 NAAA 987/4885L3MBTL1 1688/4885GRIA1 4395/4885

“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.

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