SCHEMBL14740749

SCHEMBL14740749

CC(C)(C)OC(=O)NCCCOS(=O)(=O)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA1 P00915 9/20 0.57
CA2 P00918 9/20 0.57
CA12 O43570 5/20 0.57
CA9 Q16790 5/20 0.57
IDO1 P14902 1/20 0.48
MEN1 O00255 1/20 0.47
GAA P10253 1/20 0.47
KMT2A Q03164 1/20 0.47
SIGMAR1 Q99720 2/20 0.46
DRD2 P14416 4/20 0.46
TDP1 Q9NUW8 1/20 0.46
MALT1 Q9UDY8 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
SCHEMBL14740760 0.96 CA1 (0.58) CA1CA2CA12CA9IDO1
SCHEMBL28103316 0.95 CA1 (0.59) CA1CA2CA12CA9IDO1
SCHEMBL16990184 0.92 CA1 (0.54) CA1CA2CA12CA9IDO1
SCHEMBL487585 0.88 CA1 (0.59) CA1CA2CA12CA9MEN1
SCHEMBL7262951 0.87 CA1 (0.50) CA1CA2CA12CA9IDO1
SCHEMBL1619490 0.87 CA1 (0.58) CA1CA2CA12CA9IDO1
SCHEMBL2822013 0.85 CA1 (0.60) CA1CA2CA12CA9TDP1
SCHEMBL27138446 0.84 CA1 (0.55) CA1CA2CA12CA9TDP1
SCHEMBL23835564 0.84 CA1 (0.61) CA1CA2CA12CA9TDP1
SCHEMBL16930099 0.84 CA1 (0.61) CA1CA2CA12CA9TDP1

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-20140243286-A1 BROMODOMAIN LIGANDS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME COFERON, INC. (US) 2014-08-28 US disclosed
WO-2013033270-A2 BROMODOMAIN LIGANDS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME COFERON, INC. (US) 2013-03-07 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-20140243286-A1 BROMODOMAIN LIGANDS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME BRDT, BRD4, BRD1 CA1 2152/4885CA2 3650/4885CA12 4090/4885

“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.