SCHEMBL22688015

SCHEMBL22688015

CC(C)(C)OC(=O)NCC(=O)NCC(=O)NCCN

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
GAA P10253 1/20 0.42
CA2 P00918 9/20 0.38
CA1 P00915 8/20 0.38
CA12 O43570 6/20 0.38
CA9 Q16790 5/20 0.38
EPHX1 P07099 1/20 0.38
NPFFR1 Q9GZQ6 1/20 0.36
NPFFR2 Q9Y5X5 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
CA14 Q9ULX7 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
SCHEMBL16006895 1.00 MAOA (0.46) MAOAMAOBTDP1MEN1KMT2A
SCHEMBL4589365 0.98 MAOA (0.47) MAOAMAOBTDP1MEN1KMT2A
SCHEMBL23571295 0.88 MAOA (0.53) MAOAMAOBTDP1MEN1KMT2A
SCHEMBL34362 0.85 TDP1 (0.58) MAOAMAOBTDP1MEN1KMT2A
SCHEMBL30099494 0.85 MAOA (0.49) MAOAMAOBTDP1MEN1KMT2A
SCHEMBL16380027 0.84 TDP1 (0.46) MAOAMAOBTDP1MEN1KMT2A
SCHEMBL20470254 0.84 TDP1 (0.54) MAOAMAOBTDP1MEN1KMT2A
Ammonia Solution, Strong SCHEMBL28173213 0.83 TDP1 (0.56) MAOAMAOBTDP1MEN1KMT2A
Hydrochloric Acid SCHEMBL219905 0.83 TDP1 (0.56) MAOAMAOBTDP1MEN1KMT2A
SCHEMBL21549666 0.83 TDP1 (0.49) MAOAMAOBTDP1MEN1KMT2A

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
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
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 MAOA 2492/4885MAOB 2648/4885TDP1 573/4885

“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.