Sugi Predict

Sugi Predict / Compounds / SCHEMBL5105686

SCHEMBL5105686

SCHEMBL5105686

CN(C)C(=O)C(C)(C)CC(N)=O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.33
▸ GMNN O75496 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ THPO P40225 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ BLM P54132 1/20 0.33
▸ PMP22 Q01453 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL11809225 0.75 KDM4E (0.36) KDM4EALDH1A1
SCHEMBL960674 0.74 KDM4E (0.40) KDM4EGMNNUSP2ALDH1A1LMNA
SCHEMBL1699135 0.72 TSHR (0.42) KDM4EGMNNUSP2ALDH1A1LMNA
SCHEMBL2740778 0.72 RIPK1 (0.47) —
SCHEMBL8880685 0.72 ALDH1A1 (0.32) ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL13544793 0.72 LMNA (0.38) KDM4EGMNNUSP2ALDH1A1LMNA
Hydrochloric Acid SCHEMBL3350621 0.72 KDM4E (0.38) KDM4EGMNNUSP2ALDH1A1LMNA
SCHEMBL9607597 0.72 ALDH1A1 (0.32) ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL12293705 0.70 ALDH1A1 (0.30) KDM4EGMNNUSP2ALDH1A1LMNA
SCHEMBL20857549 0.70 ALDH1A1 (0.30) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7456211-B2 Peptide deformylase inhibitors SMITHKLINE BEECHAM CORP (US) 2008-11-25 — — US disclosed
US-20070155792-A1 Peptide Deformylase Inhibitors SMITHKLINE BEECHAM CORPORATION 2007-07-05 — — US disclosed
US-20060025412-A1 Peptide deformylase inhibitors SMITHKLINE BEECHAM CORPORATION 2006-02-02 — — US disclosed
EP-1370258-B1 PEPTIDE DEFORMYLASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2005-12-07 — — EP disclosed
US-20040097732-A1 Peptide deformylase inhibitors SMITHKLINE BEECHAM CORPORATION 2004-05-20 — — US disclosed
EP-1370258-A4 PEPTIDE DEFORMYLASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2004-03-31 — — EP disclosed
EP-1370258-A2 PEPTIDE DEFORMYLASE INHIBITORS SmithKline Beecham Corporation (US) 2003-12-17 — — EP disclosed
WO-2002070540-A2 PEPTIDE DEFORMYLASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2002-09-12 — — 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 (3 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-20070155792-A1 Peptide Deformylase Inhibitors PDF, PEPD, DPEP1 KDM4E 2373/4885GMNN 3097/4885USP2 1733/4885
US-20040097732-A1 Peptide deformylase inhibitors PDF, PEPD, DPEP1 KDM4E 2373/4885GMNN 3097/4885USP2 1733/4885
US-20060025412-A1 Peptide deformylase inhibitors PDF, PEPD, DPEP1 KDM4E 2373/4885GMNN 3097/4885USP2 1733/4885

“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.