SCHEMBL3544298

SCHEMBL3544298

Cn1cc(C(F)(F)F)c(C(=O)O)c1F

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GLRA3 O75311 1/20 0.32
GLRB P48167 1/20 0.32
ASPH Q12797 1/20 0.32
DAO P14920 1/20 0.32
GLA P06280 1/20 0.31
RAB9A P51151 1/20 0.31
RORC P51449 2/20 0.30
NOTUM Q6P988 2/20 0.30
TTR P02766 1/20 0.30
ALKBH5 Q6P6C2 1/20 0.30

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
SCHEMBL3550709 0.80 NOTUM (0.35) GLRA3GLRBASPHRORCNOTUM
SCHEMBL3548917 0.74 GFER (0.33)
SCHEMBL13069794 0.70 HSD11B1 (0.33)
SCHEMBL70872 0.69 TAS2R14 (0.41) ASPHNOTUM
SCHEMBL15292267 0.67
SCHEMBL22114832 0.66 ASPH (0.40) GLRA3GLRBASPHDAONOTUM
SCHEMBL20605804 0.66 MAP2K2 (0.48) ASPHNOTUMALKBH5
SCHEMBL25985101 0.64 S1PR1 (0.35) ASPHNOTUMTTRALKBH5
SCHEMBL3165337 0.64 HTR2A (0.44) ASPHRAB9A
SCHEMBL504216 0.63 CA12 (0.46) DAO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1341757-B1 PYRROLCARBOXAMIDES AND PYRROLCARBOTHIOAMIDES AND THEIR AGROCHEMICAL USES SYNGENTA PARTICIPATIONS AG (CH) 2006-09-20 EP claimed
US-7105565-B2 Pyrrolcarboxamides and pyrrolcarbothioamides and their agrochemical uses SYNGENTA CROP PROTECTION, INC. (US) 2006-09-12 US claimed
US-20050119130-A1 Pyrrolcarboxamides and pyrrolcarbothioamides and their agrochemical uses SYNGENTA CROP PROTECTION, INC. 2005-06-02 US claimed
CN-1484637-A Pyrrolcarboxamides and pyrrolcarbothioamides and their agrochemical uses �ӳɹ� 2004-03-24 CN claimed
EP-1341757-A1 PYRROLCARBOXAMIDES AND PYRROLCARBOTHIOAMIDES AND THEIR AGROCHEMICAL USES Syngenta Participations AG (CH) 2003-09-10 EP claimed
WO-2002038542-A1 PYRROLCARBOXAMIDES AND PYRROLCARBOTHIOAMIDES AND THEIR AGROCHEMICAL USES SYNGENTA PARTICIPATIONS AG (CH) 2002-05-16 WO claimed
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
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
CN-1221532-C Pyrrolcarboxamides and pyrrolcarbothioamides and their agrochemical uses SYNGENTA PARTICIPATIONS AG (CH) 2005-10-05 CN disclosed
US-20050119130-A1 Pyrrolcarboxamides and pyrrolcarbothioamides and their agrochemical uses SYNGENTA CROP PROTECTION, INC. 2005-06-02 US disclosed
CN-1484637-A Pyrrolcarboxamides and pyrrolcarbothioamides and their agrochemical uses �ӳɹ� 2004-03-24 CN disclosed
EP-1341757-A1 PYRROLCARBOXAMIDES AND PYRROLCARBOTHIOAMIDES AND THEIR AGROCHEMICAL USES Syngenta Participations AG (CH) 2003-09-10 EP disclosed
WO-2002038542-A1 PYRROLCARBOXAMIDES AND PYRROLCARBOTHIOAMIDES AND THEIR AGROCHEMICAL USES SYNGENTA PARTICIPATIONS AG (CH) 2002-05-16 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 (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 GLRA3 241/4885GLRB 1154/4885ASPH 773/4885
US-20060189676-A1 Pyrrolcarboxamides and Pyrrolcarbothioamides CBR3, CTH, PYCR1 GLRA3 268/4885GLRB 1140/4885ASPH 984/4885

“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.