SCHEMBL3550709

SCHEMBL3550709

Cn1cc(C(F)(F)F)c(C(=O)O)c1Cl

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.35
XPO1 O14980 1/20 0.33
KDM4C Q9H3R0 2/20 0.33
KDM2B Q8NHM5 1/20 0.33
LRRK2 Q5S007 1/20 0.32
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
GABRB2 P47870 1/20 0.32
GABRA4 P48169 1/20 0.32
GABRE P78334 1/20 0.32
GABRA6 Q16445 1/20 0.32
GABRG1 Q8N1C3 1/20 0.32
GABRG3 Q99928 1/20 0.32

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
SCHEMBL3544298 0.80 GLRA3 (0.32) NOTUMRORCGLRA3GLRBASPH
SCHEMBL21810001 0.73 TP53 (0.43) NOTUMMEN1KMT2ASMN1; SMN2CYP3A4
SCHEMBL6988827 0.71 LRRK2 (0.35) XPO1LRRK2
SCHEMBL70872 0.68 TAS2R14 (0.41) NOTUMASPH
SCHEMBL15292262 0.68 LRRK2 (0.34) LRRK2
SCHEMBL20605804 0.64 MAP2K2 (0.48) NOTUMASPH
SCHEMBL841261 0.64 MEN1 (0.56) MEN1KMT2ASMN1; SMN2CYP3A4CYP2C9
SCHEMBL25985101 0.63 S1PR1 (0.35) NOTUMKDM4CKDM2BASPH
Hydrochloric Acid SCHEMBL6737822 0.63 MEN1 (0.55) MEN1KMT2ASMN1; SMN2CYP3A4CYP2C9
SCHEMBL23927243 0.63 ANO1 (0.39) GLRA3GLRBASPH

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 9 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
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 NOTUM 161/4885XPO1 4168/4885KDM4C 234/4885
US-20060189676-A1 Pyrrolcarboxamides and Pyrrolcarbothioamides CBR3, CTH, PYCR1 NOTUM 262/4885XPO1 4514/4885KDM4C 460/4885

“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.