Sugi Predict

Sugi Predict / Compounds / SCHEMBL5220064

SCHEMBL5220064

SCHEMBL5220064

COC(=O)c1cc([N+](=O)[O-])cc(N(S(=O)(=O)CCCCCl)S(=O)(=O)CCCCCl)c1F

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.34
▸ MEN1 O00255 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ POLB P06746 2/20 0.34
▸ LMNA P02545 2/20 0.34
▸ TSHR P16473 1/20 0.33
▸ MAPT P10636 2/20 0.33
▸ HTT P42858 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ OPRK1 P41145 1/20 0.32
▸ RECQL P46063 1/20 0.31
▸ PDGFRB P09619 1/20 0.31
▸ FGFR1 P11362 1/20 0.31
▸ PDGFRA P16234 1/20 0.31
▸ FLT1 P17948 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
SCHEMBL5218818 0.97 ALDH1A1 (0.35) ALDH1A1MEN1KMT2APOLBLMNA
SCHEMBL5221790 0.80 ALDH1A1 (0.36) ALDH1A1MEN1KMT2APOLBLMNA
SCHEMBL5221621 0.77 ALDH1A1 (0.36) ALDH1A1MEN1KMT2APOLBLMNA
SCHEMBL5221233 0.72 NPC1 (0.46) ALDH1A1MEN1KMT2APOLBLMNA
SCHEMBL27804372 0.70 ALDH1A1 (0.44) ALDH1A1MEN1KMT2APOLBLMNA
SCHEMBL28921222 0.70 ALDH1A1 (0.43) ALDH1A1MEN1KMT2APOLBLMNA
SCHEMBL29572430 0.70 ALDH1A1 (0.43) ALDH1A1MEN1KMT2APOLBLMNA
SCHEMBL30353758 0.70 ALDH1A1 (0.45) ALDH1A1MEN1KMT2APOLBLMNA
SCHEMBL15081285 0.70 ALDH1A1 (0.45) ALDH1A1MEN1KMT2APOLBLMNA
SCHEMBL28921267 0.70 ALDH1A1 (0.42) ALDH1A1MEN1KMT2APOLBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7253198-B2 Hydroxyethylamine derivatives for the treatment of Alzheimer's disease GLAXO GROUP LIMITED (GB) 2007-08-07 — — US disclosed
EP-1567488-B1 HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LTD (GB) 2007-02-21 — — EP disclosed
US-20060025459-A1 Hydroxyethylamine derivatives for the treatment of alzheimer's disease GLAXO GROUP LIMITED (GB) 2006-02-02 — — US disclosed
WO-2005113525-A1 N, N’-SUBSTITUTED-1,3-DIAMINO-2-OXOPROPANE DERIVATIVES, THEIR PHARMACEUTICAL COMPOSITIONS AND USE GLAXO GROUP LIMITED (GB) 2005-12-01 — — WO disclosed
EP-1567488-A1 HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LIMITED (GB) 2005-08-31 — — EP disclosed
WO-2004050619-A1 HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LIMITED (GB) 2004-06-17 — — 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 (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-20060025459-A1 Hydroxyethylamine derivatives for the treatment of alzheimer's disease BACE2, PSEN2, BACE1 ALDH1A1 3102/4885MEN1 586/4885KMT2A 300/4885

“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.