SCHEMBL13401552

SCHEMBL13401552

CC(C)(C)OC(=O)NC(=O)OBr

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.38
DGAT1 O75907 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA7 P43166 2/20 0.37
CYP2D6 P10635 1/20 0.37
GAA P10253 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CA12 O43570 2/20 0.35
CA14 Q9ULX7 2/20 0.35
APLNR P35414 1/20 0.35
NPC1 O15118 1/20 0.35
RECQL P46063 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL101218 0.87 DGAT1 (0.46) TDP1DGAT1NFKB1NFKB2RELA
SCHEMBL6272856 0.85 DGAT1 (0.44) TDP1DGAT1NFKB1NFKB2RELA
SCHEMBL1522412 0.85 DGAT1 (0.44) TDP1DGAT1NFKB1NFKB2RELA
Potassium SCHEMBL29554503 0.85 DGAT1 (0.44) TDP1DGAT1NFKB1NFKB2RELA
SCHEMBL3509747 0.80 DGAT1 (0.46) TDP1DGAT1NFKB1NFKB2RELA
SCHEMBL17874128 0.78 TDP1 (0.39) TDP1DGAT1NFKB1NFKB2RELA
SCHEMBL6946382 0.78 DGAT1 (0.44) TDP1DGAT1NFKB1NFKB2RELA
SCHEMBL14949475 0.77 DGAT1 (0.42) TDP1DGAT1NFKB1NFKB2RELA
SCHEMBL3951511 0.75 APLNR (0.41) TDP1DGAT1NFKB1NFKB2RELA
SCHEMBL3755352 0.75 DGAT1 (0.41) TDP1DGAT1NFKB1NFKB2RELA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8399403-B2 drug-ligand conjugates that are potent cytotoxins; stabilized therapeutic agents and markers; exhibit high specificity of action, reduced toxicity, and improved stability in blood ; antitumors MEDAREX, INC. (US) 2013-03-19 US disclosed
US-8399403-B2 drug-ligand conjugates that are potent cytotoxins; stabilized therapeutic agents and markers; exhibit high specificity of action, reduced toxicity, and improved stability in blood ; antitumors MEDAREX, INC. (US) 2013-03-19 US disclosed
US-20100092496-A1 CHEMICAL LINKERS AND CONJUGATES THEREOF MEDAREX, INC. (US) 2010-04-15 US disclosed
US-20100092496-A1 CHEMICAL LINKERS AND CONJUGATES THEREOF MEDAREX, INC. (US) 2010-04-15 US 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-20100092496-A1 CHEMICAL LINKERS AND CONJUGATES THEREOF CLSPN, CD74, ANTXR2 TDP1 2417/4885DGAT1 3604/4885NFKB1 3238/4885

“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.