SCHEMBL5157902

SCHEMBL5157902

CCS(=O)(=O)NC(C(=O)NOCc1ccc(OCC#Cc2ccc(Cl)cc2)c(OC)c1)C(C)C

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.39
RAB9A P51151 1/20 0.39
NCOA3 Q9Y6Q9 1/20 0.39
ACACB O00763 4/20 0.37
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
MRGPRX4 Q96LA9 1/20 0.37
SLC1A5 Q15758 1/20 0.35
CTSD P07339 1/20 0.34
GAA P10253 1/20 0.34
HDAC1 Q13547 2/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL5157897 1.00 PPARG (0.39) PPARGRAB9ANCOA3ACACBALDH1A1
SCHEMBL5157859 0.93 ACACB (0.38) PPARGRAB9ANCOA3ACACBALDH1A1
SCHEMBL5154833 0.93 ACACB (0.38) PPARGRAB9ANCOA3ACACBALDH1A1
SCHEMBL5157879 0.89 KMT2A (0.39) PPARGRAB9ANCOA3ACACBALDH1A1
SCHEMBL7095672 0.88 MEN1 (0.48) PPARGRAB9ANCOA3ALDH1A1KMT2A
SCHEMBL7095676 0.88 MEN1 (0.48) PPARGRAB9ANCOA3ALDH1A1KMT2A
SCHEMBL5155324 0.87 MEN1 (0.39) RAB9AKMT2AMEN1CTSDMAPK1
SCHEMBL5155341 0.87 MEN1 (0.39) RAB9AKMT2AMEN1CTSDMAPK1
SCHEMBL29408450 0.87 KMT2A (0.47) ALDH1A1KMT2AMEN1CTSDGAA
SCHEMBL157766 0.87 KMT2A (0.47) ALDH1A1KMT2AMEN1CTSDGAA

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 PPARG 1521/4885RAB9A 1930/4885NCOA3 2918/4885

“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.