SCHEMBL26459129

SCHEMBL26459129

Cc1nn(COCCS(C)(C)C)cc1-c1ccc(B2OC(C)(C)C(C)(C)O2)cc1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 13/20 0.37
LPL P06858 12/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
FFAR4 Q5NUL3 1/20 0.32
FFAR1 O14842 1/20 0.32
SNCA P37840 1/20 0.31
DGAT1 O75907 1/20 0.31
KEAP1 Q14145 1/20 0.31
NFE2L2 Q16236 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
SCHEMBL26093683 0.87 LIPG (0.39) LIPGLPLCA1CA2CA9
SCHEMBL19629420 0.82 FFAR1 (0.30) FFAR1
SCHEMBL26459073 0.81
SCHEMBL26459336 0.80 LIPG (0.42) LIPGLPLCA1CA2CA9
SCHEMBL26459134 0.78 LIPG (0.37) LIPGLPLCA1CA2CA9
SCHEMBL22448092 0.77 LIPG (0.40) LIPGLPLFFAR1
SCHEMBL22967311 0.77 LPL (0.38) LIPGLPLCA1CA2CA9
SCHEMBL19002004 0.77 FFAR1 (0.51) LIPGLPLCA1CA2CA9
SCHEMBL19656349 0.76 CCNC (0.39) LIPGLPL
SCHEMBL26459569 0.76 ROCK1 (0.33) LIPGLPLDGAT1

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-11858912-B2 Heterocyclic compounds HOFFMANN-LA ROCHE INC. (US) 2024-01-02 US disclosed
US-20230133845-A1 NOVEL HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 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 (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-11858912-B2 Heterocyclic compounds F12, C1R, MRPL21 LIPG 4823/4885LPL 4514/4885CA1 4605/4885
US-20230133845-A1 NOVEL HETEROCYCLIC COMPOUNDS F12, PM20D2, XDH LIPG 4668/4885LPL 4263/4885CA1 4587/4885

“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.