SCHEMBL5409226

SCHEMBL5409226

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.45
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA7 P43166 2/20 0.42
TDP1 Q9NUW8 1/20 0.39
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
CA12 O43570 2/20 0.36
CA14 Q9ULX7 2/20 0.36
APLNR P35414 1/20 0.36
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
TGM2 P21980 2/20 0.35
F13A1 P00488 1/20 0.35
DGAT1 O75907 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
CYP2D6 P10635 1/20 0.34

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
SCHEMBL5409221 1.00 CTSK (0.45) CTSKCA1CA2CA7TDP1
SCHEMBL15739550 0.82 TDP1 (0.38) CTSKCA1CA2CA7TDP1
SCHEMBL31430383 0.80 CTSK (0.41) CTSKCA1CA2CA7TDP1
SCHEMBL19193058 0.80 CTSK (0.39) CTSKCA1CA2CA7TDP1
SCHEMBL20748761 0.79 CTSK (0.38) CTSKCA1CA2CA7TDP1
SCHEMBL28901137 0.79 CTSK (0.38) CTSKCA1CA2CA7TDP1
SCHEMBL14488940 0.78 HCAR2 (0.38)
SCHEMBL2926580 0.77 TSHR (0.37) CTSKCA1CA2CA7TDP1
SCHEMBL101218 0.77 DGAT1 (0.46) CTSKCA1CA2CA7TDP1
SCHEMBL20748762 0.76 CTSK (0.36) CTSKCA1CA2CA7TDP1

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-7232923-B2 Method of hydroaminating N-alkenoylcarbamates with primary aromatic amines IMPERIAL INNOVATIONS LIMITED (GB) 2007-06-19 US disclosed
US-20060183933-A1 Method of hydroaminating N-alkenoylcarbamates with primary aromatic amines IMPERIAL COLLEGE INNOVATION LIMITED (GB) 2006-08-17 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-20060183933-A1 Method of hydroaminating N-alkenoylcarbamates with primary aromatic amines ALKBH3, HNMT, ALKBH1 CTSK 2262/4885CA1 684/4885CA2 943/4885

“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.