SCHEMBL3840682

SCHEMBL3840682

COc1c(F)ccc(-c2cc(N)c(Cl)c(C(=O)O)n2)c1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.37
CYP3A4 P08684 1/20 0.35
KMO O15229 3/20 0.35
PRKAB2 O43741 1/20 0.35
PRKAG1 P54619 1/20 0.35
PRKAA2 P54646 1/20 0.35
PRKAA1 Q13131 1/20 0.35
PRKAG3 Q9UGI9 1/20 0.35
PRKAG2 Q9UGJ0 1/20 0.35
PRKAB1 Q9Y478 1/20 0.35
ALOX5AP P20292 2/20 0.34
FEN1 P39748 2/20 0.34
PDCD1LG2 Q9BQ51 2/20 0.34
CD274 Q9NZQ7 2/20 0.34
ROCK2 O75116 1/20 0.34
ROCK1 Q13464 1/20 0.34
NEK2 P51955 2/20 0.33
PTGS2 P35354 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33

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
SCHEMBL3841054 0.94 PTPN11 (0.40) PTPN11CYP3A4KMOPRKAB2PRKAG1
SCHEMBL29349463 0.91 ALDH1A1 (0.40) CYP3A4KMOPRKAB2PRKAG1PRKAA2
SCHEMBL115379 0.91 ALDH1A1 (0.40) CYP3A4KMOPRKAB2PRKAG1PRKAA2
SCHEMBL29405327 0.91 ALDH1A1 (0.40) CYP3A4KMOPRKAB2PRKAG1PRKAA2
SCHEMBL2468809 0.89 PRKAB2 (0.36) PTPN11CYP3A4KMOPRKAB2PRKAG1
SCHEMBL679679 0.89 ALDH1A1 (0.40) CYP3A4KMOPRKAB2PRKAG1PRKAA2
SCHEMBL3329129 0.89 ABL1 (0.37) PTPN11ROCK2ROCK1PTGS2
Potassium SCHEMBL679681 0.89 ALDH1A1 (0.40) CYP3A4KMOPRKAB2PRKAG1PRKAA2
SCHEMBL2470473 0.88 ALOX5AP (0.47) CYP3A4KMOPRKAB2PRKAG1PRKAA2
SCHEMBL3839299 0.87 KMO (0.36) CYP3A4KMOPRKAB2PRKAG1PRKAA2

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 PTPN11 477/4885CYP3A4 589/4885KMO 258/4885
US-20070179060-A1 6-(Poly-substituted aryl)-4-aminopicolinates and their use as herbicides AAAS, DDT, AADAC PTPN11 477/4885CYP3A4 589/4885KMO 258/4885
US-20080051596-A1 6-(poly-substituted aryl)-4-aminopicolinates and their use as herbicides AAAS, DDT, AADAC PTPN11 477/4885CYP3A4 589/4885KMO 258/4885

“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.