SCHEMBL21323971

SCHEMBL21323971

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
DGAT1 O75907 1/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA7 P43166 2/20 0.34
CTSK P43235 3/20 0.34
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
MIF P14174 1/20 0.33
NPC1 O15118 1/20 0.33
RECQL P46063 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CA12 O43570 2/20 0.33
CA14 Q9ULX7 2/20 0.33
APLNR P35414 1/20 0.33

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
SCHEMBL2926580 0.81 TSHR (0.37) TDP1NFKB1NFKB2RELADGAT1
SCHEMBL15597368 0.79 NFKB1 (0.39) TDP1NFKB1NFKB2RELADGAT1
SCHEMBL25082025 0.78 EPHX1 (0.44) NFKB1NFKB2RELACA1CA2
SCHEMBL604019 0.78 TDP1 (0.39) TDP1NFKB1NFKB2RELADGAT1
SCHEMBL18786582 0.78 CTSK (0.37) TDP1NFKB1NFKB2RELADGAT1
SCHEMBL18410291 0.78 CTSK (0.37) TDP1NFKB1NFKB2RELADGAT1
SCHEMBL101218 0.77 DGAT1 (0.46) TDP1NFKB1NFKB2RELADGAT1
SCHEMBL20036882 0.76 NFKB1 (0.33) TDP1NFKB1NFKB2RELADGAT1
SCHEMBL10227847 0.76 TDP1 (0.38) TDP1NFKB1NFKB2RELADGAT1
SCHEMBL23637713 0.75 DGAT1 (0.35) TDP1NFKB1NFKB2RELADGAT1

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-11219693-B2 Antibody-drug-conjugate and its use for the treatment of cancer PIERRE FABRE MEDICAMENT (FR) 2022-01-11 US disclosed
US-20190269788-A1 ANTIBODY-DRUG-CONJUGATE AND ITS USE FOR THE TREATMENT OF CANCER PIERRE FABRE MEDICAMENT (FR) 2019-09-05 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 (2 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-11219693-B2 Antibody-drug-conjugate and its use for the treatment of cancer DAD1, DDOST, KRTCAP2 TDP1 1818/4885NFKB1 3767/4885NFKB2 3138/4885
US-20190269788-A1 ANTIBODY-DRUG-CONJUGATE AND ITS USE FOR THE TREATMENT OF CANCER KRTCAP2, DDOST, DAD1 TDP1 2998/4885NFKB1 3736/4885NFKB2 3311/4885

“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.