SCHEMBL6499017

SCHEMBL6499017

CC(C)(C)OC(=O)NCCC(=O)c1nccs1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.48
PLA2G4A P47712 2/20 0.42
KDM4E B2RXH2 3/20 0.42
POLB P06746 1/20 0.42
ALDH1A1 P00352 1/20 0.41
CES1 P23141 1/20 0.41
METAP1 P53582 1/20 0.40
TDP1 Q9NUW8 2/20 0.40
HTT P42858 1/20 0.40
BCHE P06276 1/20 0.39
STK17B O94768 1/20 0.39
STK17A Q9UEE5 1/20 0.39
CYP3A4 P08684 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39

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
SCHEMBL12862721 0.86 L3MBTL1 (0.45) L3MBTL1PLA2G4AALDH1A1CES1METAP1
SCHEMBL23727257 0.80 ALDH1A1 (0.46) L3MBTL1PLA2G4AALDH1A1CES1METAP1
SCHEMBL3654698 0.78 L3MBTL1 (0.47) L3MBTL1ALDH1A1METAP1TDP1HTT
SCHEMBL31421303 0.77 L3MBTL1 (0.54) L3MBTL1ALDH1A1METAP1TDP1HTT
SCHEMBL28231828 0.76 L3MBTL1 (0.51) L3MBTL1METAP1TDP1HTTSTK17B
SCHEMBL28662188 0.76 METAP1 (0.50) L3MBTL1ALDH1A1METAP1
SCHEMBL3866531 0.75 L3MBTL1 (0.58) L3MBTL1ALDH1A1METAP1TDP1STK17B
SCHEMBL30416126 0.74 MEN1 (0.47) L3MBTL1KDM4EPOLBMETAP1TDP1
SCHEMBL1585659 0.74 L3MBTL1 (0.47) L3MBTL1KDM4EALDH1A1METAP1
SCHEMBL109510 0.74 METAP1 (0.46) L3MBTL1POLBALDH1A1METAP1

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
US-6953797-B2 Use of phenylheteroalkylamine derivatives ASTRAZENECA AB (SE) 2005-10-11 US disclosed
US-6887871-B2 Use of phenylheteroakylamine derivatives ASTRAZENECA AB (SE) 2005-05-03 US disclosed
EP-1263711-B1 NOVEL USE OF PHENYLHETEROALKYLAMINE DERIVATIVES ASTRAZENECA AB (SE) 2004-12-15 EP disclosed
EP-1263718-B1 NOVEL USE OF PHENYLHETEROALKYLAMINE DERIVATIVES ASTRAZENECA AB (SE) 2004-04-28 EP disclosed
US-20030158185-A1 Novel use of phenylheteroakylamine derivatives ASTRAZENECA AB (SE) 2003-08-21 US disclosed
US-20030073685-A1 Novel use of phenylheteroalkylamine derivatives ASTRAZENECA AB (SE) 2003-04-17 US disclosed
EP-1263711-A1 NOVEL USE OF PHENYLHETEROALKYLAMINE DERIVATIVES AstraZeneca AB (SE) 2002-12-11 EP disclosed
EP-1263718-A1 NOVEL USE OF PHENYLHETEROALKYLAMINE DERIVATIVES AstraZeneca AB (SE) 2002-12-11 EP disclosed
WO-2001062704-A1 NOVEL USE OF PHENYLHETEROALKYLAMINE DERIVATIVES ASTRAZENECA AB (SE) 2001-08-30 WO disclosed
WO-2001062721-A1 NOVEL USE OF PHENYLHETEROALKYLAMINE DERIVATIVES ASTRAZENECA AB (SE) 2001-08-30 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 (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-20030073685-A1 Novel use of phenylheteroalkylamine derivatives CYP1A1, CYP1A2, CYP2E1 L3MBTL1 3270/4885PLA2G4A 866/4885KDM4E 1980/4885
US-20030158185-A1 Novel use of phenylheteroakylamine derivatives NOS1, XDH, NOS2 L3MBTL1 3920/4885PLA2G4A 934/4885KDM4E 2166/4885

“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.