Sugi Predict

Sugi Predict / Compounds / SCHEMBL1596446

SCHEMBL1596446

SCHEMBL1596446

O=CN(O)C[C@@H](CCCCC(F)(F)F)C(=O)NNc1nccc(C(F)(F)F)n1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.39
▸ TAS2R14 Q9NYV8 1/20 0.34
▸ PRMT5 O14744 1/20 0.34
▸ WDR77 Q9BQA1 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ BMP1 P13497 4/20 0.33
▸ MMP12 P39900 1/20 0.33
▸ SYK P43405 6/20 0.33
▸ IDH2 P48735 1/20 0.32

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
SCHEMBL1596449 1.00 GAA (0.39) GAATAS2R14PRMT5WDR77MAPT
SCHEMBL1596022 0.98 GAA (0.40) GAATAS2R14PRMT5WDR77MAPT
SCHEMBL1596024 0.98 GAA (0.40) GAATAS2R14PRMT5WDR77MAPT
SCHEMBL1595523 0.91 BMP1 (0.42) GAABMP1MMP12
SCHEMBL1595521 0.91 BMP1 (0.42) GAABMP1MMP12
SCHEMBL1595525 0.91 BMP1 (0.42) GAABMP1MMP12
SCHEMBL1596763 0.90 BMP1 (0.41) GAABMP1MMP12
SCHEMBL1596765 0.90 BMP1 (0.41) GAABMP1MMP12
SCHEMBL1597169 0.90 GAA (0.39) GAATAS2R14PRMT5WDR77MAPT
SCHEMBL1596495 0.90 GAA (0.39) GAATAS2R14PRMT5WDR77MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7919528-B2 Antibiotic; bactericides GLAXOSMITHKLINE LLC (US) 2011-04-05 — — US claimed
US-20050222412-A1 Peptide deformylase inhibitors GLAXOSMITHKLINE LLC 2005-10-06 — — US claimed
US-7919528-B2 Antibiotic; bactericides GLAXOSMITHKLINE LLC (US) 2011-04-05 — — US disclosed
US-20080161249-A1 Use of Novel Antibacterial Compounds SMITHKLINE BEECHAM CORPORATION (US) 2008-07-03 — — US disclosed
EP-1509218-A4 PEPTIDE DEFORMYLASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2008-03-26 — — EP disclosed
EP-1827449-A4 THE USE OF NOVEL ANTIBACTERIAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2008-01-23 — — EP disclosed
EP-1827449-A2 THE USE OF NOVEL ANTIBACTERIAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-09-05 — — EP disclosed
WO-2006055663-A2 THE USE OF NOVEL ANTIBACTERIAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-05-26 — — WO disclosed
US-20050222412-A1 Peptide deformylase inhibitors GLAXOSMITHKLINE LLC 2005-10-06 — — US disclosed
EP-1509218-A1 PEPTIDE DEFORMYLASE INHIBITORS SmithKline Beecham Corporation (US) 2005-03-02 — — EP disclosed
WO-2003101442-A1 PEPTIDE DEFORMYLASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-12-11 — — WO 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-20080161249-A1 Use of Novel Antibacterial Compounds MRPL21, NRDC, SPOUT1 GAA 541/4885TAS2R14 2645/4885PRMT5 3928/4885
US-20050222412-A1 Peptide deformylase inhibitors PDF, PEPD, DPEP1 GAA 1043/4885TAS2R14 3492/4885PRMT5 985/4885

“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.