Sugi Predict

Sugi Predict / Compounds / SCHEMBL3547269

SCHEMBL3547269

SCHEMBL3547269

CC(C)CC(O)(CC(F)(F)F)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 1/20 0.42
▸ PDK1 Q15118 1/20 0.39
▸ PDK2 Q15119 1/20 0.39
▸ PDK3 Q15120 1/20 0.39
▸ PDK4 Q16654 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.38
▸ HSD11B1 P28845 1/20 0.37
▸ CYP2C19 P33261 2/20 0.37
▸ CYP1A2 P05177 2/20 0.37
▸ TSHR P16473 2/20 0.37
▸ HTT P42858 2/20 0.37
▸ CYP3A4 P08684 2/20 0.37
▸ AR P10275 2/20 0.37
▸ CES2 O00748 1/20 0.37
▸ ABCB11 O95342 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ GLA P06280 1/20 0.37
▸ ADORA3 P0DMS8 1/20 0.37
▸ CHRM1 P11229 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37

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
SCHEMBL7143454 0.84 NPSR1 (0.42) NPSR1PDK1PDK2PDK3PDK4
SCHEMBL13548747 0.81 NPSR1 (0.43) NPSR1PDK1PDK2PDK3PDK4
SCHEMBL3547267 0.76 NPSR1 (0.42) NPSR1PDK1PDK2PDK3PDK4
SCHEMBL3547270 0.70 NPSR1 (0.44) NPSR1PDK1PDK2PDK3PDK4
SCHEMBL7143449 0.69 NPSR1 (0.47) NPSR1PDK1PDK2PDK3PDK4
SCHEMBL8331183 0.69 NPSR1 (0.60) NPSR1PDK1PDK2PDK3PDK4
SCHEMBL2956140 0.69 NPSR1 (0.60) NPSR1PDK1PDK2PDK3PDK4
SCHEMBL30627320 0.69 ALDH1A1 (0.50) NPSR1ALDH1A1CYP2C19CYP1A2TSHR
SCHEMBL1999849 0.69 ALDH1A1 (0.50) NPSR1ALDH1A1CYP2C19CYP1A2TSHR
SCHEMBL7143446 0.69 NPSR1 (0.46) NPSR1PDK1PDK2PDK3PDK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7652059-B2 1-methyl-4-trifluoromethyl-1H-pyrrole-3-carboxylic acid [2-(1,3-dimethylbutyl)phenyl]amide; protecting plants against infestation by phytopathogenic microorganisms SYNGENTA CROP PROTECTION, INC. (US) 2010-01-26 — — US disclosed
EP-1341757-B1 PYRROLCARBOXAMIDES AND PYRROLCARBOTHIOAMIDES AND THEIR AGROCHEMICAL USES SYNGENTA PARTICIPATIONS AG (CH) 2006-09-20 — — EP disclosed
US-7105565-B2 Pyrrolcarboxamides and pyrrolcarbothioamides and their agrochemical uses SYNGENTA CROP PROTECTION, INC. (US) 2006-09-12 — — US disclosed
US-20060189676-A1 Pyrrolcarboxamides and Pyrrolcarbothioamides SYNGENTA CROP PROTECTION, INC. (US) 2006-08-24 — — US disclosed
US-20050119130-A1 Pyrrolcarboxamides and pyrrolcarbothioamides and their agrochemical uses SYNGENTA CROP PROTECTION, INC. 2005-06-02 — — 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-20050119130-A1 Pyrrolcarboxamides and pyrrolcarbothioamides and their agrochemical uses CBR3, PYCR1, CBR1 NPSR1 2333/4885PDK1 439/4885PDK2 428/4885
US-20060189676-A1 Pyrrolcarboxamides and Pyrrolcarbothioamides CBR3, CTH, PYCR1 NPSR1 1738/4885PDK1 561/4885PDK2 676/4885

“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.