SCHEMBL5154833

SCHEMBL5154833

COc1cc(CONC(=O)[C@@H](NS(C)(=O)=O)C(C)C)ccc1OCC#Cc1ccc(Cl)cc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACACB O00763 5/20 0.38
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
PPARG P37231 1/20 0.37
RAB9A P51151 1/20 0.37
NCOA3 Q9Y6Q9 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.37
ALDH1A1 P00352 1/20 0.36
SLC1A5 Q15758 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
CNR1 P21554 1/20 0.35
CTSD P07339 1/20 0.34
MAPK1 P28482 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL5157859 1.00 ACACB (0.38) ACACBKMT2AMEN1PPARGRAB9A
SCHEMBL5157897 0.93 PPARG (0.39) ACACBKMT2AMEN1PPARGRAB9A
SCHEMBL5157902 0.93 PPARG (0.39) ACACBKMT2AMEN1PPARGRAB9A
SCHEMBL5157689 0.88 KMT2A (0.39) ACACBKMT2AMEN1PPARGRAB9A
SCHEMBL7099648 0.88 MEN1 (0.49) KMT2AMEN1ALDH1A1MAPK1
SCHEMBL157178 0.87 KMT2A (0.48) KMT2AMEN1ALDH1A1SMN1; SMN2CNR1
SCHEMBL82268 0.87 KMT2A (0.48) KMT2AMEN1ALDH1A1SMN1; SMN2CNR1
SCHEMBL483297 0.87 KMT2A (0.48) KMT2AMEN1ALDH1A1SMN1; SMN2CNR1
SCHEMBL29419083 0.87 KMT2A (0.48) KMT2AMEN1ALDH1A1SMN1; SMN2CNR1
SCHEMBL5157467 0.86 MEN1 (0.39) KMT2AMEN1RAB9AALDH1A1SMN1; 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 6 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
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

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 ACACB 3355/4885KMT2A 3559/4885MEN1 2112/4885

“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.