SCHEMBL2222296

SCHEMBL2222296

C#Cc1ccc2ccc(OC(CC)C(=O)NC(C)(C)CO)cc2c1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.40
PPARG P37231 4/20 0.37
PPARA Q07869 4/20 0.37
SMN1; SMN2 Q16637 2/20 0.34
ACACB O00763 2/20 0.33
NPSR1 Q6W5P4 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HSD17B10 Q99714 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL2221549 0.90 PPARG (0.39) PPARGPPARASMN1; SMN2NPSR1TP53
SCHEMBL2222766 0.89 PPARG (0.36) SCN9APPARGPPARASMN1; SMN2ACACB
SCHEMBL2223258 0.88 PPARG (0.36) PPARGPPARASMN1; SMN2NPSR1TP53
SCHEMBL2221558 0.86 PPARG (0.36) SCN9APPARGPPARASMN1; SMN2ACACB
SCHEMBL2224597 0.86 PPARG (0.33) PPARGPPARASMN1; SMN2ACACBTSHR
SCHEMBL3740890 0.85 SCN9A (0.39) SCN9ASMN1; SMN2NPSR1TP53MAPT
SCHEMBL2221495 0.83 LMNA (0.41) SCN9APPARGPPARASMN1; SMN2NPSR1
SCHEMBL2221406 0.80 SMN1; SMN2 (0.54) PPARGPPARASMN1; SMN2
SCHEMBL3728868 0.79 SMN1; SMN2 (0.32) SCN9ASMN1; SMN2NPSR1ALDH1A1
SCHEMBL13583861 0.79 PPARG (0.36) SCN9APPARGPPARASMN1; SMN2ACACB

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-20120283216-A1 FUNGICIDAL 2-(BICYCLIC ARYLOXY)CARBOXAMIDES E. I. DU PONT DE NEMOURS AND COMPANY 2012-11-08 US disclosed
EP-2516385-A2 FUNGICIDAL 2-(BICYCLIC ARYLOXY)CARBOXAMIDES E. I. du Pont de Nemours and Company (US) 2012-10-31 EP disclosed
WO-2011087837-A9 FUNGICIDAL 2-(BICYCLIC ARYLOXY)CARBOXAMIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-09-09 WO disclosed
WO-2011087837-A2 FUNGICIDAL 2-(BICYCLIC ARYLOXY)CARBOXAMIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-07-21 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-20120283216-A1 FUNGICIDAL 2-(BICYCLIC ARYLOXY)CARBOXAMIDES CBR3, CBR1, Q6ZSR9 SCN9A 105/4885PPARG 3476/4885PPARA 3944/4885

“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.