SCHEMBL11023342

SCHEMBL11023342

CC(C)OC(=O)c1cc(F)c(Cl)c(F)n1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
CA12 O43570 6/20 0.38
CA1 P00915 6/20 0.38
CA2 P00918 6/20 0.38
CA7 P43166 6/20 0.38
CA9 Q16790 6/20 0.38
CA14 Q9ULX7 6/20 0.38
PTPN11 Q06124 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
MAPT P10636 2/20 0.37
KDM4E B2RXH2 2/20 0.34
LMNA P02545 2/20 0.34
TP53 P04637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL29556327 0.84 CA12 (0.40) ALDH1A1CA12CA1CA2CA7
SCHEMBL11023865 0.84 CA12 (0.40) ALDH1A1CA12CA1CA2CA7
SCHEMBL15449347 0.81 CA12 (0.41) ALDH1A1CA12CA1CA2CA7
SCHEMBL15449346 0.81 ALDH1A1 (0.40) ALDH1A1CA12CA1CA2CA7
SCHEMBL31427607 0.76 ALDH1A1 (0.46) ALDH1A1CA12CA1CA2CA7
SCHEMBL31427618 0.76 ALDH1A1 (0.50) ALDH1A1CA12CA1CA2CA7
SCHEMBL11024949 0.75 CA12 (0.38) ALDH1A1CA12CA1CA2CA7
SCHEMBL15440084 0.75 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL11026722 0.74 CA12 (0.43) ALDH1A1CA12CA1CA2CA7
SCHEMBL11023079 0.73 ALDH1A1 (0.39) ALDH1A1CA12CA1CA2CA7

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2725903-B1 3-ALKOXY, THIOALKYL AND AMINO-4-AMINO-6-(SUBSTITUTED)PICOLINATES AND THEIR USE AS HERBICIDES DOW AGROSCIENCES LLC (US) 2020-04-15 EP disclosed
EP-2877452-B1 FLUOROPICOLINOYL FLUORIDES AND PROCESSES FOR THEIR PREPARATION DOW AGROSCIENCES LLC (US) 2017-08-23 EP disclosed
EP-2667714-B9 PROCESS FOR THE PREPARATION OF 4-AMINO-5-FLUORO-3-HALO-6-(SUBSTITUTED)PICOLINATES DOW AGROSCIENCES LLC (US) 2017-06-21 EP disclosed
EP-2667714-B1 PROCESS FOR THE PREPARATION OF 4-AMINO-5-FLUORO-3-HALO-6-(SUBSTITUTED)PICOLINATES DOW AGROSCIENCES LLC (US) 2017-03-01 EP disclosed
US-9518018-B2 3-alkoxy, thioalkyl and amino-4-amino-6-(substituted)picolinates and their use as herbicides DOW AGROSCIENCES LLC (US) 2016-12-13 US disclosed
US-9376388-B2 Fluoropicolinoyl fluorides and processes for their preparation DOW AGROSCIENCES LLC (US) 2016-06-28 US disclosed
US-9376388-B2 Fluoropicolinoyl fluorides and processes for their preparation DOW AGROSCIENCES LLC (US) 2016-06-28 US disclosed
US-20150191428-A1 FLUOROPICOLINOYL FLUORIDES AND PROCESSES FOR THEIR PREPARATION CORTEVA AGRISCIENCE LLC 2015-07-09 US disclosed
US-20150191428-A1 FLUOROPICOLINOYL FLUORIDES AND PROCESSES FOR THEIR PREPARATION CORTEVA AGRISCIENCE LLC 2015-07-09 US disclosed
US-9045427-B2 Fluoropicolinoyl fluorides and processes for their preparation DOW AGROSCIENCES LLC (US) 2015-06-02 US disclosed
US-8609855-B2 Process for the preparation of 4-amino-5-fluoro-3-halo-6-(substituted)picolinates DOW AGROSCIENCES, LLC. (US) 2013-12-17 US disclosed
EP-2667714-A1 PROCESS FOR THE PREPARATION OF 4-AMINO-5-FLUORO-3-HALO-6-(SUBSTITUTED)PICOLINATES Dow AgroSciences LLC (US) 2013-12-04 EP disclosed
EP-2667717-A2 6-AMINO-2-SUBSTITUTED-5-VINYLSILYLPYRIMIDINE-4-CARBOXYLIC ACIDS AND ESTERS AND 4-AMINO-6-SUBSTITUTED-3-VINYLSILYLPYRIDINE-2-CARBOXYLIC ACIDS AND ESTERS AS HERBICIDES Dow AgroSciences LLC (US) 2013-12-04 EP disclosed
US-20130005574-A1 3-ALKOXY, THIOALKYL AND AMINO-4-AMINO-6-(SUBSTITUTED)PICOLINATES AND THEIR USE AS HERBICIDES CORTEVA AGRISCIENCE LLC 2013-01-03 US disclosed
WO-2013003740-A1 3-ALKOXY, THIOALKYL AND AMINO-4-AMINO-6-(SUBSTITUTED)PICOLINATES AND THEIR USE AS HERBICIDES DOW AGROSCIENCES LLC (US) 2013-01-03 WO disclosed
WO-2012103047-A1 PROCESS FOR THE PREPARATION OF 4-AMINO-5-FLUORO-3-HALO-6-(SUBSTITUTED)PICOLINATES DOW AGROSCIENCES LLC (US) 2012-08-02 WO disclosed
WO-2012103051-A2 6-AMINO-2-SUBSTITUTED-5-VINYLSILYLPYRIMIDINE-4-CARBOXYLIC ACIDS AND ESTERS AND 4-AMINO-6-SUBSTITUTED-3-VINYLSILYLPYRIDINE-2-CARBOXYLIC ACIDS AND ESTERS AS HERBICIDES DOW AGROSCIENCES LLC (US) 2012-08-02 WO disclosed
US-20120190548-A1 3-ALKENYL-6-HALO-4-AMINOPICOLINATES AND THEIR USE AS HERBICIDES DOW AGROSCIENCES LLC (US) 2012-07-26 US disclosed
US-20120190860-A1 PROCESS FOR THE PREPARATION OF 4-AMINO-5-FLUORO-3-HALO-6-(SUBSTITUTED)PICOLINATES DOW AGROSCIENCES LLC (US) 2012-07-26 US disclosed
US-20120190549-A1 6-AMINO-2-SUBSTITUTED-5-VINYLSILYLPYRIMIDINE-4-CARBOXYLIC ACIDS AND ESTERS AND 4-AMINO-6-SUBSTITUTED-3-VINYLSILYLPYRIDINE-2-CARBOXYLIC ACIDS AND ESTERS AS HERBICIDES DOW AGROSCIENCES LLC (US) 2012-07-26 US 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 (5 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-20130005574-A1 3-ALKOXY, THIOALKYL AND AMINO-4-AMINO-6-(SUBSTITUTED)PICOLINATES AND THEIR USE AS HERBICIDES DDT, AADAC, AADAT ALDH1A1 1084/4885CA12 2562/4885CA1 1599/4885
US-20150191428-A1 FLUOROPICOLINOYL FLUORIDES AND PROCESSES FOR THEIR PREPARATION FLI1, ABL1, FLNA ALDH1A1 2088/4885CA12 2236/4885CA1 847/4885
US-20120190860-A1 PROCESS FOR THE PREPARATION OF 4-AMINO-5-FLUORO-3-HALO-6-(SUBSTITUTED)PICOLINATES GFPT1, CYP4F3, SLC39A3 ALDH1A1 3990/4885CA12 1903/4885CA1 1158/4885
US-20120190549-A1 6-AMINO-2-SUBSTITUTED-5-VINYLSILYLPYRIMIDINE-4-CARBOXYLIC ACIDS AND ESTERS AND 4-AMINO-6-SUBSTITUTED-3-VINYLSILYLPYRIDINE-2-CARBOXYLIC ACIDS AND ESTERS AS HERBICIDES DDT, PFAS, WEE2 ALDH1A1 873/4885CA12 1777/4885CA1 924/4885
US-20120190548-A1 3-ALKENYL-6-HALO-4-AMINOPICOLINATES AND THEIR USE AS HERBICIDES ATL3, AAAS, HDHD5 ALDH1A1 1051/4885CA12 1780/4885CA1 1464/4885

“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.