SCHEMBL22688016

SCHEMBL22688016

CC(C)(C)OC(=O)NCC(=O)NCC(=O)NCCNC(=O)CN=[N+]=[N-]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.38
CA2 P00918 4/20 0.37
CA9 Q16790 3/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
GAA P10253 1/20 0.36
EPHX1 P07099 1/20 0.35
CA1 P00915 3/20 0.33
CA12 O43570 2/20 0.33
NPFFR1 Q9GZQ6 1/20 0.32
NPFFR2 Q9Y5X5 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
MALT1 Q9UDY8 1/20 0.32
TLR2 O60603 1/20 0.31
TLR1 Q15399 1/20 0.31
BCHE P06276 1/20 0.30
HTT P42858 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
SCHEMBL16274544 0.84 TDP1 (0.56) TDP1CA2CA9MAOAMAOB
SCHEMBL23568261 0.84 TDP1 (0.45) TDP1CA2CA9MAOAMAOB
SCHEMBL13853299 0.80 TDP1 (0.44) TDP1CA2CA9MAOAMAOB
SCHEMBL21549666 0.77 TDP1 (0.49) TDP1CA2CA9MAOAMAOB
SCHEMBL22688014 0.76 CA2 (0.45) CA2CA9
SCHEMBL23656886 0.76 APLNR (0.47) TDP1CA2MEN1KMT2AGAA
SCHEMBL23569627 0.76 CA2 (0.47) TDP1CA2CA9GAACA1
SCHEMBL20470254 0.76 TDP1 (0.54) TDP1CA2CA9MAOAMAOB
SCHEMBL13527795 0.76 TDP1 (0.50) TDP1CA2CA9MAOAMAOB
SCHEMBL25327812 0.76 MEN1 (0.47) TDP1CA2CA9MAOAMAOB

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-20220409734-A1 ANTIBODY DRUG CONJUGATES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-12-29 US disclosed
EP-3965891-A1 ANTIBODY DRUG CONJUGATES Takeda Pharmaceutical Company Limited (JP) 2022-03-16 EP disclosed
CN-114173824-A Antibody drug conjugates 武田药品工业株式会社 2022-03-11 CN disclosed
WO-2020229982-A1 ANTIBODY DRUG CONJUGATES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-11-19 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-20220409734-A1 ANTIBODY DRUG CONJUGATES STING1, CGAS, TBK1 TDP1 573/4885CA2 4448/4885CA9 3642/4885

“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.