SCHEMBL5157545

SCHEMBL5157545

C#CCOc1ccc(CNNC(=O)[C@@H](NS(=O)(=O)CC)C(C)C)cc1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
MAPK1 P28482 1/20 0.41
CA12 O43570 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
ALDH1A1 P00352 3/20 0.37
LARS1 Q9P2J5 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
PKM P14618 1/20 0.37
POLB P06746 1/20 0.37
TP53 P04637 2/20 0.36
DRD2 P14416 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
MMP8 P22894 1/20 0.35
MMP13 P45452 1/20 0.35

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
SCHEMBL5157345 0.91 MEN1 (0.44) MEN1KMT2AMAPK1CA12CA2
SCHEMBL5159068 0.90 MEN1 (0.43) MEN1KMT2AMAPK1ALDH1A1LARS1
SCHEMBL5157667 0.87 CA12 (0.40) MEN1KMT2AMAPK1CA12CA2
SCHEMBL5157685 0.87 CA12 (0.40) MEN1KMT2AMAPK1CA12CA2
SCHEMBL7670246 0.85 SMN1; SMN2 (0.49) MEN1KMT2ACA12CA2CA9
SCHEMBL5157879 0.84 KMT2A (0.39) MEN1KMT2AMAPK1ALDH1A1SMN1; SMN2
SCHEMBL5155067 0.82 MEN1 (0.43) MEN1KMT2AMAPK1ALDH1A1LARS1
SCHEMBL5159471 0.78 CA12 (0.41) MEN1KMT2AMAPK1CA12CA2
SCHEMBL5159461 0.78 CA12 (0.41) MEN1KMT2AMAPK1CA12CA2
SCHEMBL7015776 0.77 RAB9A (0.57) MEN1KMT2AMAPK1ALDH1A1SMN1; SMN2

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-7189873-B2 Propargylether derivatives, a process for their preparation and their use for controlling phytopathogenic microorganisms SYNGENTA CORP PROTECTION, INC. (US) 2007-03-13 US claimed
EP-1549609-B1 PROPARGYLETHER DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND THEIR USE FOR CONTROLLING PHYTOPATHOGENIC MICROORGANISMS SYNGENTA PARTICIPATIONS AG (CH) 2007-01-24 EP claimed
US-20060167316-A1 Propargylether derivatives, a process for their preparation and their use for controlling phytopathogenic microorganisms SYNGENTA CROP PROTECTION, INC. 2006-07-27 US claimed
EP-1549609-A2 PROPARGYLETHER DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND THEIR USE FOR CONTROLLING PHYTOPATHOGENIC MICROORGANISMS Syngenta Participations AG (CH) 2005-07-06 EP claimed
WO-2004033413-A2 PROPARGYLETHER DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND THEIR USE FOR CONTROLLING PHYTOPATHOGENIC MICROORGANISMS SYNGENTA PARTICIPATIONS AG (CH) 2004-04-22 WO claimed
US-7189873-B2 Propargylether derivatives, a process for their preparation and their use for controlling phytopathogenic microorganisms SYNGENTA CORP PROTECTION, INC. (US) 2007-03-13 US disclosed
EP-1549609-B1 PROPARGYLETHER DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND THEIR USE FOR CONTROLLING PHYTOPATHOGENIC MICROORGANISMS SYNGENTA PARTICIPATIONS AG (CH) 2007-01-24 EP disclosed
US-20060167316-A1 Propargylether derivatives, a process for their preparation and their use for controlling phytopathogenic microorganisms SYNGENTA CROP PROTECTION, INC. 2006-07-27 US disclosed
EP-1549609-A2 PROPARGYLETHER DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND THEIR USE FOR CONTROLLING PHYTOPATHOGENIC MICROORGANISMS Syngenta Participations AG (CH) 2005-07-06 EP disclosed
WO-2004033413-A2 PROPARGYLETHER DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND THEIR USE FOR CONTROLLING PHYTOPATHOGENIC MICROORGANISMS SYNGENTA PARTICIPATIONS AG (CH) 2004-04-22 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-20060167316-A1 Propargylether derivatives, a process for their preparation and their use for controlling phytopathogenic microorganisms GRHPR, CBR3, CYP8B1 MEN1 2112/4885KMT2A 3559/4885MAPK1 3668/4885

“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.