SCHEMBL15313010

SCHEMBL15313010

O=C(/C=C/c1csc(C2CCN(C(=O)O)CC2)n1)c1c(F)cccc1F

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.39
UBE2M P61081 3/20 0.38
DCUN1D1 Q96GG9 3/20 0.38
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
GFER P55789 1/20 0.36
KMT2A Q03164 1/20 0.36
FAAH O00519 7/20 0.35
TDP1 Q9NUW8 1/20 0.34
KRAS P01116 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 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
SCHEMBL15313013 1.00 PPARG (0.39) PPARGUBE2MDCUN1D1ALDH1A1GAA
SCHEMBL15312996 0.86 GPR119 (0.45) PPARG
SCHEMBL15312994 0.86 GPR119 (0.45) PPARG
SCHEMBL18192786 0.84 TDP1 (0.33) PPARGTDP1KRAS
Hydrochloric Acid SCHEMBL15312997 0.83 AOC3 (0.37) PPARGALDH1A1KMT2ATDP1KRAS
Hydrochloric Acid SCHEMBL15312999 0.83 AOC3 (0.37) PPARGALDH1A1KMT2ATDP1KRAS
SCHEMBL15312972 0.81 PPARG (0.35) PPARGUBE2MDCUN1D1ALDH1A1GAA
SCHEMBL2593802 0.81 PPARG (0.35) PPARGUBE2MDCUN1D1ALDH1A1GAA
SCHEMBL1775045 0.76 FAAH (0.41) ALDH1A1FAAHNPC1RAB9A
SCHEMBL1773239 0.76 FAAH (0.41) ALDH1A1FAAHNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9357779-B2 Ketoheteroarylpiperdine and -piperazine derivatives as fungicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-06-07 US disclosed
US-9220266-B2 Ketoheteroarylpiperidine and -piperazine derivatives as fungicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-12-29 US disclosed
US-20130274292-A1 Ketoheteroarylpiperdine and -Piperazine Derivatives as Fungicides BAYER CROPSCIENCE AG (DE) 2013-10-17 US disclosed
US-20110312999-A1 Ketoheteroarylpiperidine and -Piperazine Derivatives as Fungicides BAYER CROPSCIENCE AG (DE) 2011-12-22 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 (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-20130274292-A1 Ketoheteroarylpiperdine and -Piperazine Derivatives as Fungicides CYP4Z1, CYP51A1, CYP1A1 PPARG 600/4885UBE2M 4136/4885DCUN1D1 1936/4885
US-20110312999-A1 Ketoheteroarylpiperidine and -Piperazine Derivatives as Fungicides CYP4Z1, CYP51A1, KCNH1 PPARG 674/4885UBE2M 4134/4885DCUN1D1 1974/4885

“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.