SCHEMBL3842800

SCHEMBL3842800

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

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDCD1LG2 Q9BQ51 9/20 0.36
CD274 Q9NZQ7 9/20 0.36
FEN1 P39748 4/20 0.32
ALOX5AP P20292 3/20 0.32
KMO O15229 1/20 0.32
PRKAB2 O43741 1/20 0.31
PRKAG1 P54619 1/20 0.31
PRKAA2 P54646 1/20 0.31
PRKAA1 Q13131 1/20 0.31
PRKAG3 Q9UGI9 1/20 0.31
PRKAG2 Q9UGJ0 1/20 0.31
PRKAB1 Q9Y478 1/20 0.31
COPS5 Q92905 1/20 0.31
MEP1B Q16820 1/20 0.31
NEK2 P51955 1/20 0.31
ROCK2 O75116 1/20 0.30
ROCK1 Q13464 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
SCHEMBL3329199 0.90 PDCD1LG2 (0.38) PDCD1LG2CD274FEN1ALOX5APMEP1B
SCHEMBL3840682 0.86 PTPN11 (0.37) PDCD1LG2CD274FEN1ALOX5APKMO
SCHEMBL29349463 0.86 ALDH1A1 (0.40) FEN1ALOX5APKMOPRKAB2PRKAG1
SCHEMBL115379 0.86 ALDH1A1 (0.40) FEN1ALOX5APKMOPRKAB2PRKAG1
SCHEMBL29405327 0.86 ALDH1A1 (0.40) FEN1ALOX5APKMOPRKAB2PRKAG1
Potassium SCHEMBL679681 0.85 ALDH1A1 (0.40) FEN1ALOX5APKMOPRKAB2PRKAG1
SCHEMBL679679 0.85 ALDH1A1 (0.40) FEN1ALOX5APKMOPRKAB2PRKAG1
SCHEMBL2468809 0.85 PRKAB2 (0.36) FEN1ALOX5APKMOPRKAB2PRKAG1
SCHEMBL17797210 0.85 CD274 (0.39) PDCD1LG2CD274FEN1ALOX5APMEP1B
SCHEMBL2470473 0.84 ALOX5AP (0.47) FEN1ALOX5APKMOPRKAB2PRKAG1

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 12 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
CN-102300459-A Herbicide-safener combination 2011-12-28 CN 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 PDCD1LG2 1509/4885CD274 2720/4885FEN1 4273/4885
US-20070179060-A1 6-(Poly-substituted aryl)-4-aminopicolinates and their use as herbicides AAAS, DDT, AADAC PDCD1LG2 1509/4885CD274 2720/4885FEN1 4273/4885
US-20080051596-A1 6-(poly-substituted aryl)-4-aminopicolinates and their use as herbicides AAAS, DDT, AADAC PDCD1LG2 1509/4885CD274 2720/4885FEN1 4273/4885

“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.