SCHEMBL21541108

SCHEMBL21541108

COC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)CCN=[N+]=[N-]

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 9/20 0.44
▸ ATM Q13315 2/20 0.44
▸ MAPT P10636 5/20 0.43
▸ NPSR1 Q6W5P4 7/20 0.43
▸ MEN1 O00255 5/20 0.43
▸ KMT2A Q03164 5/20 0.43
▸ POLB P06746 3/20 0.43
▸ GAA P10253 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.40
▸ CA1 P00915 3/20 0.39
▸ CA2 P00918 3/20 0.39
▸ CA12 O43570 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ PAX8 Q06710 1/20 0.38

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
SCHEMBL17381374 0.94 TDP1 (0.43) TDP1ATMMAPTNPSR1MEN1
SCHEMBL21541111 0.90 MEN1 (0.49) TDP1ATMMAPTNPSR1MEN1
SCHEMBL21541319 0.88 CA1 (0.44) TDP1ATMMAPTNPSR1MEN1
SCHEMBL15498944 0.86 CAPN1 (0.44) TDP1ATMMAPTNPSR1MEN1
SCHEMBL25913008 0.85 TDP1 (0.46) TDP1ATMMAPTNPSR1MEN1
SCHEMBL31467206 0.85 TDP1 (0.51) TDP1ATMMAPTNPSR1MEN1
SCHEMBL20346566 0.85 TDP1 (0.40) TDP1ATMMAPTNPSR1MEN1
SCHEMBL21602829 0.85 KMT2A (0.46) TDP1ATMMAPTNPSR1MEN1
SCHEMBL20346568 0.84 TDP1 (0.48) TDP1ATMMAPTNPSR1MEN1
SCHEMBL21902490 0.84 MEN1 (0.47) TDP1ATMMEN1KMT2AGAA

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-11065343-B2 Compound bearing beta-galactoside-introduced self-immolative linker INTOCELL INC. (KR) 2021-07-20 — — US disclosed
US-20190328902-A1 Compound Bearing Beta-Galactoside-Introduced Self-Immolative Linker INTOCELL INC. (KR) 2019-10-31 — — 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-11065343-B2 Compound bearing beta-galactoside-introduced self-immolative linker DDOST, B3GAT3, GALNT10 TDP1 1893/4885ATM 4794/4885MAPT 1158/4885
US-20190328902-A1 Compound Bearing Beta-Galactoside-Introduced Self-Immolative Linker DDOST, B3GAT3, GALNT10 TDP1 1893/4885ATM 4794/4885MAPT 1158/4885

“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.

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