SCHEMBL3110345

SCHEMBL3110345

CO/N=C(/C(=O)O)c1ccc(CO/N=C(\C)c2cccc(C(F)(F)F)c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARG P37231 10/20 0.54
PPARA Q07869 9/20 0.54
S1PR1 P21453 2/20 0.47
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
MAOB P27338 2/20 0.42
NPSR1 Q6W5P4 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL1685912 0.91 PPARG (0.51) PPARGPPARAS1PR1NPC1RAB9A
SCHEMBL27039060 0.84 HIF1A (0.52) PPARGPPARANPC1RAB9AMEN1
SCHEMBL2792516 0.84 HIF1A (0.52) PPARGPPARANPC1RAB9AMEN1
SCHEMBL5112727 0.84 HIF1A (0.52) PPARGPPARANPC1RAB9AMEN1
SCHEMBL26650820 0.84 HIF1A (0.52) PPARGPPARANPC1RAB9AMEN1
SCHEMBL2792522 0.84 HIF1A (0.52) PPARGPPARANPC1RAB9AMEN1
SCHEMBL28652083 0.84 HIF1A (0.52) PPARGPPARANPC1RAB9AMEN1
SCHEMBL7073241 0.82 PPARG (0.42) PPARGPPARANPC1RAB9AMEN1
SCHEMBL10441908 0.82 CES2 (0.54) MEN1KMT2AMAOBNPSR1
SCHEMBL7070313 0.81 PPARG (0.41) PPARGPPARANPC1RAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100273649-A1 Fungicidal Mixtures III BASF SE (DE) 2010-10-28 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-20100273649-A1 Fungicidal Mixtures III CBR3, CBR1, NOX3 PPARG 2657/4885PPARA 2647/4885S1PR1 1439/4885

“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.