SCHEMBL21541230

SCHEMBL21541230

CC(C)(C)OC(=O)CCC(NC(=O)NC(CCCCN=[N+]=[N-])C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 5/20 0.38
▸ TDP1 Q9NUW8 5/20 0.35
▸ ATM Q13315 2/20 0.34
▸ POLB P06746 4/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ MAPT P10636 2/20 0.33
▸ NPSR1 Q6W5P4 3/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ CTSK P43235 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ HDAC8 Q9BY41 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31

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
SCHEMBL16094006 1.00 FOLH1 (0.38) FOLH1TDP1ATMPOLBKMT2A
SCHEMBL16151455 0.92 FOLH1 (0.35) FOLH1TDP1POLBKMT2AHDAC8
SCHEMBL18161564 0.86 TDP1 (0.39) FOLH1TDP1ATMPOLBKMT2A
SCHEMBL15510867 0.86 TDP1 (0.39) FOLH1TDP1ATMPOLBKMT2A
SCHEMBL15510866 0.86 TDP1 (0.39) FOLH1TDP1ATMPOLBKMT2A
SCHEMBL24630327 0.84 KMT2A (0.38) TDP1ATMPOLBKMT2AMAPT
SCHEMBL18145473 0.83 KMT2A (0.41) TDP1POLBKMT2AL3MBTL1HDAC8
SCHEMBL14729303 0.83 KMT2A (0.41) TDP1POLBKMT2AL3MBTL1HDAC8
SCHEMBL18161562 0.83 KMT2A (0.41) TDP1POLBKMT2AL3MBTL1HDAC8
SCHEMBL15495587 0.83 TDP1 (0.37) FOLH1TDP1ATMPOLBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230159611-A1 SMALL MOLECULE ADAPTER REGULATED, TARGET SPECIFIC CHIMERIC ANTIGEN RECEPTOR BEARING T CELLS (SMART CARS) YALE UNIVERSITY 2023-05-25 — — US disclosed
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 (3 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-20230159611-A1 SMALL MOLECULE ADAPTER REGULATED, TARGET SPECIFIC CHIMERIC ANTIGEN RECEPTOR BEARING T CELLS (SMART CARS) CD47, CD4, CD2 FOLH1 148/4885TDP1 4315/4885ATM 1762/4885
US-11065343-B2 Compound bearing beta-galactoside-introduced self-immolative linker DDOST, B3GAT3, GALNT10 FOLH1 177/4885TDP1 1893/4885ATM 4794/4885
US-20190328902-A1 Compound Bearing Beta-Galactoside-Introduced Self-Immolative Linker DDOST, B3GAT3, GALNT10 FOLH1 177/4885TDP1 1893/4885ATM 4794/4885

“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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