SCHEMBL3672003

SCHEMBL3672003

CC[C@@H](Oc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.64
LMNA P02545 6/20 0.61
FFAR1 O14842 1/20 0.60
LIPE Q05469 1/20 0.57
ALDH1A1 P00352 5/20 0.55
RAB9A P51151 1/20 0.51
MAPT P10636 3/20 0.51
XBP1 P17861 2/20 0.51
KMT2A Q03164 2/20 0.51
HTT P42858 2/20 0.51
MEN1 O00255 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
KDM4E B2RXH2 2/20 0.50
HPGD P15428 2/20 0.50
ATM Q13315 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
SCN9A Q15858 1/20 0.49
POLB P06746 1/20 0.49
PPARG P37231 1/20 0.49

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
SCHEMBL11021668 0.92 SMN1; SMN2 (0.62) SMN1; SMN2LMNAFFAR1LIPEALDH1A1
SCHEMBL11005802 0.87 SMN1; SMN2 (0.62) SMN1; SMN2LMNAFFAR1LIPEALDH1A1
SCHEMBL9691553 0.86 SMN1; SMN2 (0.56) SMN1; SMN2LMNAFFAR1LIPEALDH1A1
Haloxyfop SCHEMBL3675562 0.85 SMN1; SMN2 (0.65) SMN1; SMN2LMNAFFAR1LIPEALDH1A1
Haloxyfop SCHEMBL29792114 0.85 SMN1; SMN2 (0.65) SMN1; SMN2LMNAFFAR1LIPEALDH1A1
Haloxyfop SCHEMBL29426466 0.85 SMN1; SMN2 (0.65) SMN1; SMN2LMNAFFAR1LIPEALDH1A1
Haloxyfop-R-Methyl SCHEMBL29730427 0.85 SMN1; SMN2 (0.65) SMN1; SMN2LMNAFFAR1LIPEALDH1A1
Haloxyfop SCHEMBL33627 0.85 SMN1; SMN2 (0.65) SMN1; SMN2LMNAFFAR1LIPEALDH1A1
Haloxyfop-R-Methyl SCHEMBL119996 0.85 SMN1; SMN2 (0.65) SMN1; SMN2LMNAFFAR1LIPEALDH1A1
Haloxyfop SCHEMBL1560810 0.85 SMN1; SMN2 (0.65) SMN1; SMN2LMNAFFAR1LIPEALDH1A1

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-9232796-B2 Herbicidal compositions comprising 4-amino-3-chloro-5-fluoro-6-(4-chloro-2-fluoro-3-methoxyphenyl) pyridine-2-carboxylic acid or a derivative thereof and acetyl-CoA carboxylase (ACCase) inhibitors DOW AGROSCIENCES LLC (US) 2016-01-12 US disclosed
US-20150189879-A1 HERBICIDAL COMPOSITIONS COMPRISING 4-AMINO-3-CHLORO-5-FLUORO-6-(4-CHLORO-2-FLUORO-3-METHOXYPHENYL) PYRIDINE-2-CARBOXYLIC ACID OR A DERIVATIVE THEREOF AND ACETYL-CoA CARBOXYLASE (ACCASE) INHIBITORS CORTEVA AGRISCIENCE LLC 2015-07-09 US disclosed
US-20100075854-A1 HERBICIDE COMBINATION COMPRISING DIMETHOSXYTRIAZINYL-SUBSTITUTED DIFLUOROMETHANESULFONYLANILIDES BAYER CROPSCIENCE AG (DE) 2010-03-25 US disclosed
EP-1784075-A2 HERBICIDE COMBINATIONS COMPRISING SPECIAL KETOENOLES Bayer CropScience GmbH (DE) 2007-05-16 EP disclosed
WO-2006024411-A2 HERBICIDE COMBINATIONS COMPRISING SPECIAL KETOENOLES BAYER CROPSCIENCE GMBH (DE) 2006-03-09 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-20150189879-A1 HERBICIDAL COMPOSITIONS COMPRISING 4-AMINO-3-CHLORO-5-FLUORO-6-(4-CHLORO-2-FLUORO-3-METHOXYPHENYL) PYRIDINE-2-CARBOXYLIC ACID OR A DERIVATIVE THEREOF AND ACETYL-CoA CARBOXYLASE (ACCASE) INHIBITORS FAH, DDT, NOTUM SMN1; SMN2 4831/4885LMNA 4352/4885FFAR1 1318/4885
US-20100075854-A1 HERBICIDE COMBINATION COMPRISING DIMETHOSXYTRIAZINYL-SUBSTITUTED DIFLUOROMETHANESULFONYLANILIDES DDT, CYP4F12, CYP4F2 SMN1; SMN2 4642/4885LMNA 4565/4885FFAR1 1750/4885

“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.