SCHEMBL26464702

SCHEMBL26464702

CC(F)(F)COc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 2/20 0.55
DGAT1 O75907 5/20 0.40
FFAR1 O14842 1/20 0.36
ALPL P05186 1/20 0.36
LPL P06858 2/20 0.34
LIPG Q9Y5X9 2/20 0.34
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
PDGFRB P09619 3/20 0.32
KDR P35968 3/20 0.32
ROCK1 Q13464 1/20 0.32
SSTR4 P31391 1/20 0.31
BACE1 P56817 1/20 0.31
BACE2 Q9Y5Z0 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
SCHEMBL20191051 0.91 AAK1 (0.53) AAK1DGAT1FFAR1ALPLLPL
SCHEMBL26464168 0.88 AAK1 (0.51) AAK1DGAT1FFAR1ALPLLPL
SCHEMBL26013257 0.87 AAK1 (0.50) AAK1DGAT1FFAR1ALPLLPL
SCHEMBL22314538 0.87 AAK1 (0.52) AAK1DGAT1FFAR1ALPLLPL
SCHEMBL26013177 0.85 AAK1 (0.48) AAK1DGAT1FFAR1ALPLLPL
SCHEMBL6934738 0.83 AAK1 (0.50) AAK1DGAT1FFAR1ALPLLPL
SCHEMBL10177490 0.82 DGAT1 (0.64) AAK1DGAT1FFAR1ALPLGSK3A
SCHEMBL22067624 0.82 AAK1 (0.45) AAK1DGAT1ALPLGSK3AGSK3B
SCHEMBL20746298 0.82 AAK1 (0.44) AAK1DGAT1FFAR1ALPLLPL
SCHEMBL22066642 0.81 AAK1 (0.46) AAK1DGAT1FFAR1ALPLLPL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230134428-A1 FUSED HETEROARYL COMPOUNDS, AND METHODS THEREOF FOR TREATING DISEASES, DISORDERS, AND CONDITIONS RELATING TO ABERRANT FUNCTION OF A SODIUM CHANNEL PRAXIS PRECISION MEDICINES, INC. 2023-05-04 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-20230134428-A1 FUSED HETEROARYL COMPOUNDS, AND METHODS THEREOF FOR TREATING DISEASES, DISORDERS, AND CONDITIONS RELATING TO ABERRANT FUNCTION OF A SODIUM CHANNEL SCN1A, SCN3A, SCN2A AAK1 3688/4885DGAT1 464/4885FFAR1 3170/4885

“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.