SCHEMBL21980552

SCHEMBL21980552

CC(NC(=O)OC(C)(C)C)C(=O)Cc1cccc(Cl)c1C(=O)Nc1cc(F)cc(F)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 3/20 0.39
MAPT P10636 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
GAA P10253 1/20 0.39
RAB9A P51151 1/20 0.39
ITGB1 P05556 5/20 0.39
ITGA4 P13612 5/20 0.39
TLR8 Q9NR97 3/20 0.37
TYK2 P29597 3/20 0.37
MITF O75030 1/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
HSD17B10 Q99714 1/20 0.36
JAK2 O60674 2/20 0.35
JAK1 P23458 2/20 0.35
CTSS P25774 2/20 0.35
CTSK P43235 2/20 0.35
CASP3 P42574 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
SCHEMBL14726583 1.00 TLR7 (0.39) TLR7MAPTNPSR1GAARAB9A
SCHEMBL14726434 0.91 GAA (0.44) TLR7MAPTNPSR1GAARAB9A
SCHEMBL14726546 0.90 MAPT (0.37) TLR7MAPTNPSR1GAARAB9A
SCHEMBL14726578 0.89 MAPT (0.42) TLR7MAPTNPSR1GAARAB9A
SCHEMBL10353528 0.88 ITGB1 (0.43) MAPTNPSR1GAARAB9AITGB1
SCHEMBL28993006 0.88 ITGB1 (0.43) MAPTNPSR1GAARAB9AITGB1
SCHEMBL29440976 0.88 ITGB1 (0.43) MAPTNPSR1GAARAB9AITGB1
SCHEMBL20061313 0.88 ITGB1 (0.43) MAPTNPSR1GAARAB9AITGB1
SCHEMBL14726516 0.87 ITGB1 (0.42) MAPTNPSR1GAARAB9AITGB1
SCHEMBL14726541 0.87 ITGB1 (0.42) MAPTNPSR1GAARAB9AITGB1

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-11459306-B2 Compounds, compositions, and methods for treating T-cell acute lymphoblastic leukemia THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2022-10-04 US disclosed
US-20200165211-A1 Compounds, Compositions, and Methods for Treating T-Cell Acute Lymphoblastic Leukemia THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2020-05-28 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-11459306-B2 Compounds, compositions, and methods for treating T-cell acute lymphoblastic leukemia BCL9, BCL3, MCL1 TLR7 2981/4885MAPT 4668/4885NPSR1 4762/4885
US-20200165211-A1 Compounds, Compositions, and Methods for Treating T-Cell Acute Lymphoblastic Leukemia BCL9, BCL3, MCL1 TLR7 2981/4885MAPT 4668/4885NPSR1 4762/4885

“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.