SCHEMBL3983381

SCHEMBL3983381

COC(=O)CC(=O)NC1CCN(C(=O)OC(C)(C)C)CC1C(=O)OC

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.41
PDE4B Q07343 3/20 0.41
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
HPGD P15428 1/20 0.38
GPR119 Q8TDV5 1/20 0.37
USP30 Q70CQ3 2/20 0.36
RECQL P46063 1/20 0.36
PTPN2 P17706 1/20 0.36
PTPN1 P18031 1/20 0.36
PTPN6 P29350 1/20 0.36
TACR1 P25103 1/20 0.36
KDM4E B2RXH2 1/20 0.36
PKM P14618 1/20 0.36
NR1H2 P55055 1/20 0.36

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
SCHEMBL3988958 0.89 PDE4B (0.46) EPHX1PDE4BUSP30TACR1NR1H2
SCHEMBL3988956 0.89 PDE4B (0.46) EPHX1PDE4BUSP30TACR1NR1H2
SCHEMBL14319944 0.84 EPHX1 (0.42) EPHX1ALDH1A1MEN1MAPTKMT2A
SCHEMBL3980905 0.82 ALDH1A1 (0.42) EPHX1ALDH1A1MEN1MAPTKMT2A
SCHEMBL21987663 0.81 PDE4B (0.43) EPHX1PDE4BALDH1A1MEN1MAPT
SCHEMBL21987661 0.81 PDE4B (0.43) EPHX1PDE4BALDH1A1MEN1MAPT
SCHEMBL22052156 0.81 PDE4B (0.43) EPHX1PDE4BALDH1A1MEN1MAPT
SCHEMBL14601621 0.81 EPHX1 (0.52) EPHX1ALDH1A1USP30
SCHEMBL14964702 0.79 PDE4B (0.49) EPHX1PDE4BALDH1A1MEN1MAPT
SCHEMBL22355307 0.79 EPHX1 (0.40) EPHX1PDE4BALDH1A1HPGDGPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090325948-A1 INHIBITORS OF UNDECAPRENYL PYROPHOSPHATE SYNTHASE HURLEY TIMOTHY BRIAN 2009-12-31 US disclosed
US-20090325948-A1 INHIBITORS OF UNDECAPRENYL PYROPHOSPHATE SYNTHASE HURLEY TIMOTHY BRIAN 2009-12-31 US disclosed
EP-2059305-A2 INHIBITORS OF UNDECAPRENYL PYROPHOSPHATE SYNTHASE Novartis Ag (CH) 2009-05-20 EP disclosed
WO-2008014307-A2 INHIBITORS OF UNDECAPRENYL PYROPHOSPHATE SYNTHASE NOVARTIS AG (CH) 2008-01-31 WO disclosed
WO-2008014307-A2 INHIBITORS OF UNDECAPRENYL PYROPHOSPHATE SYNTHASE NOVARTIS AG (CH) 2008-01-31 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-20090325948-A1 INHIBITORS OF UNDECAPRENYL PYROPHOSPHATE SYNTHASE FDPS, UMPS, GGPS1 EPHX1 796/4885PDE4B 1276/4885ALDH1A1 3119/4885

“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.