SCHEMBL25522772

SCHEMBL25522772

COCCOCCN(C(=O)OC(C)(C)C)c1cccc(I)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F2 P00734 4/20 0.41
HDAC8 Q9BY41 2/20 0.34
NR1I2 O75469 1/20 0.34
L3MBTL1 Q9Y468 3/20 0.33
CSNK2A1 P68400 2/20 0.33
ITGB1 P05556 1/20 0.33
ITGA4 P13612 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
CSNK2A2 P19784 1/20 0.33
TP53BP1 Q12888 1/20 0.32
NR1H4 Q96RI1 1/20 0.32
BRD4 O60885 1/20 0.31
MTNR1A P48039 1/20 0.31
MTNR1B P49286 1/20 0.31
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
SCHEMBL12700643 0.77 CSNK2A1 (0.35) F2L3MBTL1CSNK2A1CSNK2A2KDM4E
SCHEMBL2497481 0.77 F2 (0.45) F2HDAC8L3MBTL1ITGB1ITGA4
SCHEMBL22508149 0.76 F2 (0.34) F2L3MBTL1CSNK2A1CSNK2A2
SCHEMBL13280913 0.74 F2 (0.46) F2L3MBTL1
SCHEMBL3923511 0.74 F2 (0.42) F2HDAC8NR1I2L3MBTL1ITGB1
SCHEMBL2494883 0.74 LMNA (0.43) F2
SCHEMBL10704446 0.73 F2 (0.39) F2HDAC8NR1I2L3MBTL1ITGB1
SCHEMBL6636248 0.73 F2 (0.47) F2NR1I2L3MBTL1
SCHEMBL22508201 0.72 F2 (0.36) F2L3MBTL1CSNK2A1
SCHEMBL12218423 0.72 F2 (0.39) F2HDAC8ITGB1ITGA4HDAC1

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-11666577-B2 MLKL inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2023-06-06 US disclosed
US-11666577-B2 MLKL inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2023-06-06 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 (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-11666577-B2 MLKL inhibitors MLKL, CMKLR1, PCSK9 F2 3631/4885HDAC8 1641/4885NR1I2 3796/4885

“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.