SCHEMBL23637713

SCHEMBL23637713

CO/C(C)=C/C(=N)NC(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.35
CA12 O43570 3/20 0.33
CA14 Q9ULX7 3/20 0.33
CA2 P00918 2/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CTSK P43235 3/20 0.32
CA1 P00915 2/20 0.32
CA7 P43166 2/20 0.32
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
MIF P14174 1/20 0.31
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.31
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.30
RECQL P46063 1/20 0.30

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
SCHEMBL25644173 1.00 DGAT1 (0.35) DGAT1CA12CA14CA2NFKB1
SCHEMBL23863686 0.80 DGAT1 (0.34) DGAT1CA12CA14CA2NFKB1
SCHEMBL10227847 0.76 TDP1 (0.38) DGAT1CA12CA14CA2NFKB1
SCHEMBL21258408 0.76 NFKB1 (0.33) DGAT1CA12CA14CA2NFKB1
SCHEMBL21323971 0.75 TDP1 (0.35) DGAT1CA12CA14CA2NFKB1
SCHEMBL604019 0.73 TDP1 (0.39) DGAT1CA12CA14CA2NFKB1
SCHEMBL18410291 0.73 CTSK (0.37) DGAT1CA12CA14CA2NFKB1
SCHEMBL18272559 0.73 MAOA (0.34) DGAT1CA12CA14CA2NFKB1
Acetic Acid SCHEMBL3489390 0.72 MEN1 (0.38) DGAT1CA12CA14CA2NFKB1
SCHEMBL101218 0.72 DGAT1 (0.46) DGAT1CA12CA14CA2NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210214378-A1 MITOGEN-ACTIVATED PROTEIN KINASE INHIBITORS, METHODS OF MAKING, AND METHODS OF USE THEREOF WASHINGTON UNIVERSITY (US) 2021-07-15 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-20210214378-A1 MITOGEN-ACTIVATED PROTEIN KINASE INHIBITORS, METHODS OF MAKING, AND METHODS OF USE THEREOF MAPK13, MAPK12, MAP3K13 DGAT1 1772/4885CA12 3296/4885CA14 4296/4885

“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.