SCHEMBL1734362

SCHEMBL1734362

O=C(CC(=O)OCCC1CCCC1)OCCC1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
NAAA Q02083 9/20 0.42
HPGD P15428 1/20 0.41
ASAH1 Q13510 1/20 0.41
LMNA P02545 1/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
ATM Q13315 1/20 0.40
KLK7 P49862 1/20 0.40

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
SCHEMBL27842415 0.98 EPHX1 (0.49) EPHX1SMN1; SMN2NAAAHPGDASAH1
SCHEMBL29171649 0.91 MGAM (0.39) EPHX1SMN1; SMN2NAAAASAH1
SCHEMBL27623915 0.88 SMN1; SMN2 (0.44) EPHX1SMN1; SMN2NAAAHPGDASAH1
SCHEMBL11880421 0.87 EPHX1 (0.44) EPHX1SMN1; SMN2NAAAHPGDASAH1
Hydrochloric Acid SCHEMBL11876947 0.85 EPHX1 (0.43) EPHX1SMN1; SMN2NAAAHPGDASAH1
SCHEMBL30997666 0.84 EPHX1 (0.66) EPHX1SMN1; SMN2NAAAASAH1
SCHEMBL25022401 0.83 SMN1; SMN2 (0.46) EPHX1SMN1; SMN2NAAAHPGDLMNA
SCHEMBL6019680 0.83 SMN1; SMN2 (0.46) EPHX1SMN1; SMN2NAAAHPGDASAH1
SCHEMBL2265099 0.83 SMN1; SMN2 (0.46) EPHX1SMN1; SMN2NAAAHPGDASAH1
SCHEMBL8392600 0.83 SMN1; SMN2 (0.43) EPHX1SMN1; SMN2NAAAHPGDASAH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1896452-B1 N-FORMYL HYDROXYLAMINE COMPOUNDS NOVARTIS AG (CH) 2011-11-16 EP disclosed
US-8044199-B2 N-formyl hydroxylamines compounds VICURON HOLDINGS LLC (US) 2011-10-25 US disclosed
US-20100063278-A1 N-Formyl Hydroxylamines compounds NOVARTIS AG (CH) 2010-03-11 US disclosed
US-7615635-B2 N-formyl hydroxylamines NOVARTIS AG (CH) 2009-11-10 US disclosed
US-20090062537-A1 N-Formyl Hydrozyamine Compounds LEE KWANGHO 2009-03-05 US disclosed
EP-1994027-A2 N-FORMYL HYDROXYLAMINE COMPOUNDS Novartis AG (CH) 2008-11-26 EP disclosed
US-20080161558-A1 1-[2-Cyclopentylmethyl-3-(formyl-hydroxy-amino)-propionyl]-pyrrolidine-2-carboxylic acid (5-fluoro-1-oxy-pyridin-2-yl)-amide; inhibitors of peptidyl deformylase (PDF), antimicrobials and antibiotics VICURON HOLDINGS LLC 2008-07-03 US disclosed
EP-1896452-A2 N-FORMYL HYDROXYLAMINE COMPOUNDS Novartis Pharma AG. (CH) 2008-03-12 EP disclosed
WO-2007106670-A2 N-FORMYL HYDROXYLAMINE COMPOUNDS NOVARTIS AG (CH) 2007-09-20 WO disclosed
WO-2006127576-A2 N - FORMYL HYDROXYLAMINE COMPOUNDS AS PDF INHIBITORS NOVARTIS AG (CH) 2006-11-30 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-20100063278-A1 N-Formyl Hydroxylamines compounds PDF, MMP2, HNMT EPHX1 1858/4885SMN1; SMN2 4089/4885NAAA 69/4885
US-20090062537-A1 N-Formyl Hydrozyamine Compounds PDF, HNMT, MMP2 EPHX1 1652/4885SMN1; SMN2 3897/4885NAAA 50/4885
US-20080161558-A1 1-[2-Cyclopentylmethyl-3-(formyl-hydroxy-amino)-propionyl]-pyrrolidine-2-carboxylic acid (5-fluoro-1-oxy-pyridin-2-yl)-amide; inhibitors of peptidyl deformylase (PDF), antimicrobials and antibiotics PDF, MMP2, PEPD EPHX1 1770/4885SMN1; SMN2 3632/4885NAAA 154/4885

“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.