SCHEMBL3550576

SCHEMBL3550576

CC(C)CC(O)(c1ccccc1N)C(CF)(CF)CF

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.34
GAA P10253 1/20 0.34
AR P10275 1/20 0.34
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
NOS3 P29474 1/20 0.30
NOS1 P29475 1/20 0.30
NOS2 P35228 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
SCHEMBL13548757 0.84 AR (0.48) SMN1; SMN2GAAARKDM4EMEN1
SCHEMBL3547267 0.76 NPSR1 (0.42) SMN1; SMN2ARLMNAMAPK1HTT
SCHEMBL7781942 0.75 HSP90AA1 (0.40) SMN1; SMN2GAA
SCHEMBL17374776 0.72 SMN1; SMN2 (0.33) SMN1; SMN2GAAMAPT
SCHEMBL3550577 0.72 CACNA1F (0.32) SMN1; SMN2GAAARNOS3NOS1
SCHEMBL19209998 0.70 CNR1 (0.33) SMN1; SMN2GAA
SCHEMBL4802713 0.66 HSP90AA1 (0.42) SMN1; SMN2MEN1HTTKMT2A
SCHEMBL6740132 0.64 SMN1; SMN2 (0.39) SMN1; SMN2GAAKDM4EMEN1LMNA
SCHEMBL3380756 0.64 SMN1; SMN2 (0.55) SMN1; SMN2GAAKDM4EMEN1LMNA
Hydrochloric Acid SCHEMBL6404058 0.64 CYP3A4 (0.37) SMN1; SMN2KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060189676-A1 Pyrrolcarboxamides and Pyrrolcarbothioamides SYNGENTA CROP PROTECTION, INC. (US) 2006-08-24 US claimed
US-20050119130-A1 Pyrrolcarboxamides and pyrrolcarbothioamides and their agrochemical uses SYNGENTA CROP PROTECTION, INC. 2005-06-02 US 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
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
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 SMN1; SMN2 4551/4885GAA 4788/4885AR 4721/4885
US-20060189676-A1 Pyrrolcarboxamides and Pyrrolcarbothioamides CBR3, CTH, PYCR1 SMN1; SMN2 4486/4885GAA 4819/4885AR 4733/4885

“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.