SCHEMBL3837679

SCHEMBL3837679

COc1c(F)cc(F)c(-c2cc(NC(C)=O)c(Cl)c(C(=O)O)n2)c1Cl

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.35
ADORA3 P0DMS8 4/20 0.33
ACLY P53396 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PYGL P06737 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 1/20 0.32
ADORA2A P29274 3/20 0.32
ABL1 P00519 2/20 0.31
PTK2 Q05397 1/20 0.31
AGER Q15109 1/20 0.31
ADORA2B P29275 2/20 0.31
BRAF P15056 1/20 0.31
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31
TAS1R2 Q8TE23 1/20 0.31
IDO1 P14902 1/20 0.31
TDO2 P48775 1/20 0.31

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
SCHEMBL3838978 0.92 ACLY (0.36) CYP1A2ADORA3ACLYKDM4EHSD17B10
SCHEMBL3840578 0.87 ACLY (0.36) CYP1A2ADORA3ACLYKDM4EHSD17B10
SCHEMBL3841922 0.86 CYP1A2 (0.33) CYP1A2ADORA3ACLYKDM4EHSD17B10
SCHEMBL17797199 0.86 CYP1A2 (0.34) CYP1A2ADORA3ACLYPYGLSMN1; SMN2
SCHEMBL3838090 0.85 HSD17B10 (0.34) CYP1A2ADORA3ACLYKDM4EHSD17B10
SCHEMBL3842961 0.83 ALDH1A1 (0.35) CYP1A2ALDH1A1
SCHEMBL6618256 0.80 ADORA3 (0.39) ADORA3KDM4EHSD17B10SMN1; SMN2ALDH1A1
SCHEMBL1919622 0.79 ALDH1A1 (0.38) ADORA3KDM4EHSD17B10ALDH1A1ADORA2A
SCHEMBL3842063 0.79 KDM4E (0.32) KDM4EHSD17B10ABL1
SCHEMBL3840715 0.79 RORC (0.37) CYP1A2ACLYKDM4ESMN1; SMN2ALDH1A1

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
EP-2060566-B1 Poly-substituted aryls DOW AGROSCIENCES LLC (US) 2016-06-08 EP claimed
EP-2060566-B1 Poly-substituted aryls DOW AGROSCIENCES LLC (US) 2016-06-08 EP disclosed
EP-1973881-B1 6-(POLY-SUBSTITUTED ARYL)-4-AMINOPICOLINATES AND THEIR USE AS HERBICIDES DOW AGROSCIENCES LLC (US) 2009-10-28 EP disclosed
EP-2060566-A1 Poly-substituted aryls Dow AgroSciences LLC (US) 2009-05-20 EP disclosed
US-7498468-B2 6-(poly-substituted aryl)-4-aminopicolinates and their use as herbicides DOW AGROSCIENCES LLC (US) 2009-03-03 US disclosed
EP-1973881-A2 6-(POLY-SUBSTITUTED ARYL)-4-AMINOPICOLINATES AND THEIR USE AS HERBICIDES Dow Agrosciences LLC (US) 2008-10-01 EP disclosed
US-20080051596-A1 6-(poly-substituted aryl)-4-aminopicolinates and their use as herbicides DOW AGROSCIENCES LLC (US) 2008-02-28 US disclosed
US-20080045734-A1 6-(poly-substituted aryl)-4-aminopicolinates and their use as herbicides DOW AGROSCIENCES LLC (US) 2008-02-21 US disclosed
US-7314849-B2 6-(poly-substituted aryl)-4-aminopicolinates and their use as herbicides DOW AGROSCIENCES LLC (US) 2008-01-01 US disclosed
US-20070179060-A1 6-(Poly-substituted aryl)-4-aminopicolinates and their use as herbicides CORTEVA AGRISCIENCE LLC 2007-08-02 US disclosed
WO-2007082098-A2 6-(POLY-SUBSTITUTED ARYL)-4-AMINOPICOLINATES AND THEIR USE AS HERBICIDES DOW AGROSCIENCES LLC (US) 2007-07-19 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 (3 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-20080045734-A1 6-(poly-substituted aryl)-4-aminopicolinates and their use as herbicides AAAS, DDT, AADAC CYP1A2 880/4885ADORA3 378/4885ACLY 3215/4885
US-20070179060-A1 6-(Poly-substituted aryl)-4-aminopicolinates and their use as herbicides AAAS, DDT, AADAC CYP1A2 880/4885ADORA3 378/4885ACLY 3215/4885
US-20080051596-A1 6-(poly-substituted aryl)-4-aminopicolinates and their use as herbicides AAAS, DDT, AADAC CYP1A2 880/4885ADORA3 378/4885ACLY 3215/4885

“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.