SCHEMBL2217595

SCHEMBL2217595

CC(C)(C)N(CCCCCn1cc(B2OC(C)(C)C(C)(C)O2)cn1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.52
DGAT1 O75907 1/20 0.33
PDK2 Q15119 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL22715892 0.91 FFAR1 (0.56) FFAR1DGAT1PDK2L3MBTL1
SCHEMBL22657321 0.81 FFAR1 (0.51) FFAR1DGAT1L3MBTL1
SCHEMBL25248244 0.80 FFAR1 (0.53) FFAR1PDK2L3MBTL1
SCHEMBL29236822 0.79 FFAR1 (0.54) FFAR1PDK2L3MBTL1
SCHEMBL17785673 0.79 FFAR1 (0.54) FFAR1DGAT1PDK2L3MBTL1
SCHEMBL27091002 0.77 FFAR1 (0.50) FFAR1DGAT1L3MBTL1
SCHEMBL1561022 0.77 FFAR1 (0.50) FFAR1DGAT1L3MBTL1
SCHEMBL25297920 0.77 FFAR1 (0.58) FFAR1DGAT1PDK2
SCHEMBL25293264 0.77 FFAR1 (0.58) FFAR1DGAT1PDK2
SCHEMBL25248137 0.77 FFAR1 (0.53) FFAR1DGAT1PDK2

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-20110178053-A1 AZACARBOLINE DERIVATIVES, PREPARATION METHOD THEREOF AND THERAPEUTIC USE OF SAME SANOFI-AVENTIS (FR) 2011-07-21 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-20110178053-A1 AZACARBOLINE DERIVATIVES, PREPARATION METHOD THEREOF AND THERAPEUTIC USE OF SAME AOC3, CBR3, IDH3B FFAR1 2345/4885DGAT1 3924/4885PDK2 1951/4885

“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.