SCHEMBL22864545

SCHEMBL22864545

O=c1[nH][nH]c(=O)n1-c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
GAA P10253 1/20 0.48
GSK3A P49840 1/20 0.48
GSK3B P49841 1/20 0.48
EPHX2 P34913 2/20 0.44
SCN5A Q14524 1/20 0.43
NR1H4 Q96RI1 1/20 0.42
DAO P14920 1/20 0.41
MAPT P10636 2/20 0.41
PIM1 P11309 1/20 0.41
PIM2 Q9P1W9 1/20 0.41
NOTUM Q6P988 1/20 0.41
TDP2 O95551 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA3 P34903 1/20 0.39
KIF11 P52732 1/20 0.39
CES1 P23141 1/20 0.39

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
SCHEMBL10954922 0.86 POLB (0.63) POLBL3MBTL1EPHX2SCN5ANR1H4
SCHEMBL11179136 0.78 GAA (0.58) POLBL3MBTL1GAAGSK3AGSK3B
SCHEMBL10955104 0.76 POLB (0.53) POLBL3MBTL1GSK3AGSK3BEPHX2
SCHEMBL8185171 0.76 L3MBTL1 (0.72) POLBL3MBTL1SCN5ANR1H4MAPT
SCHEMBL11083823 0.75 GSK3A (0.54) GAAGSK3AGSK3BEPHX2NR1H4
SCHEMBL9472940 0.75 ATM (0.57) POLBGAAGSK3AGSK3BMAPT
SCHEMBL19454370 0.73 POLB (0.57) POLBL3MBTL1GAAEPHX2NR1H4
SCHEMBL8721198 0.73 POLB (0.49) POLBL3MBTL1EPHX2SCN5AMAPT
SCHEMBL8718833 0.73 POLB (0.56) POLBL3MBTL1SCN5AMAPTNOTUM
SCHEMBL254957 0.72 MAPT (0.56) L3MBTL1GAAEPHX2MAPTPIM1

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-11530250-B2 Tyrosine-specific functionalized insulin and insulin analogs MERCK SHARP & DOHME LLC (US) 2022-12-20 US disclosed
US-20210002345-A1 TYROSINE-SPECIFIC FUNCTIONALIZED INSULIN AND INSULIN ANALOGS MERCK SHARP & DOHME CORP. (US) 2021-01-07 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-20210002345-A1 TYROSINE-SPECIFIC FUNCTIONALIZED INSULIN AND INSULIN ANALOGS IRS1, IGF1R, INSR POLB 4035/4885L3MBTL1 4167/4885GAA 496/4885
US-11530250-B2 Tyrosine-specific functionalized insulin and insulin analogs IRS1, IGF1R, INSR POLB 4035/4885L3MBTL1 4167/4885GAA 496/4885

“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.