SCHEMBL921425

SCHEMBL921425

CSC(SC)=C(C#N)C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
MAPT P10636 3/20 0.42
XBP1 P17861 2/20 0.42
MAPK1 P28482 2/20 0.42
RAB9A P51151 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
LMNA P02545 1/20 0.42
NPC1 O15118 1/20 0.39
PKM P14618 1/20 0.39
HPGD P15428 1/20 0.34
CTSK P43235 2/20 0.31
CTSS P25774 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
SCHEMBL212550 0.78 ALDH1A1 (0.46) ALDH1A1MAPTXBP1MAPK1RAB9A
SCHEMBL12220353 0.78 CTSK (0.33) CTSKCTSS
SCHEMBL20694705 0.73 ALDH1A1 (0.38) ALDH1A1MAPTRAB9ANPC1HPGD
SCHEMBL77082 0.73 ALDH1A1 (0.50) ALDH1A1MAPTXBP1MAPK1RAB9A
SCHEMBL3192961 0.70 CTSK (0.33) CTSKCTSS
SCHEMBL3192956 0.70 CTSK (0.33) CTSKCTSS
SCHEMBL922881 0.70 ALDH1A1 (0.55) ALDH1A1MAPTXBP1MAPK1RAB9A
SCHEMBL86410 0.70 ALDH1A1 (0.50) ALDH1A1MAPTXBP1MAPK1RAB9A
SCHEMBL31484126 0.69 ALDH1A1 (0.42) ALDH1A1MAPTRAB9ALMNAPKM
SCHEMBL1416929 0.69 MAPT (0.52) ALDH1A1MAPTXBP1MAPK1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2573074-B1 2-(2-fluoro-substituted phenyl)-6-amino-5-chloro-4- pyrimidinecarboxylates and their use as herbicides DOW AGROSCIENCES LLC (US) 2014-07-23 EP disclosed
EP-2573074-B1 2-(2-fluoro-substituted phenyl)-6-amino-5-chloro-4- pyrimidinecarboxylates and their use as herbicides DOW AGROSCIENCES LLC (US) 2014-07-23 EP disclosed
US-8598085-B2 2-(2-fluoro-substituted phenyl)-6-amino-5-chloro-4-pyrimidinecarboxylates and their use as herbicides DOW AGROSCIENCES, LLC. (US) 2013-12-03 US disclosed
US-20130109573-A1 2-(2-FLUORO-SUBSTITUTED PHENYL)-6-AMINO-5-CHLORO-4-PYRIMIDINECARBOXYLATES AND THEIR USE AS HERBICIDES DOW AGROSCIENCES LLC (US) 2013-05-02 US disclosed
US-20130109573-A1 2-(2-FLUORO-SUBSTITUTED PHENYL)-6-AMINO-5-CHLORO-4-PYRIMIDINECARBOXYLATES AND THEIR USE AS HERBICIDES DOW AGROSCIENCES LLC (US) 2013-05-02 US disclosed
US-20130109573-A1 2-(2-FLUORO-SUBSTITUTED PHENYL)-6-AMINO-5-CHLORO-4-PYRIMIDINECARBOXYLATES AND THEIR USE AS HERBICIDES DOW AGROSCIENCES LLC (US) 2013-05-02 US disclosed
EP-2573074-A1 2-(2-fluoro-substituted phenyl)-6-amino-5-chloro-4- pyrimidinecarboxylates and their use as herbicides Dow AgroSciences LLC (US) 2013-03-27 EP disclosed
EP-2573074-A1 2-(2-fluoro-substituted phenyl)-6-amino-5-chloro-4- pyrimidinecarboxylates and their use as herbicides Dow AgroSciences LLC (US) 2013-03-27 EP disclosed
US-8357633-B2 2-(2-fluoro-substituted phenyl)-6-amino-5-chloro-4-pyrimidinecarboxylates and their use as herbicides DOW AGROSCIENCES, LLC (US) 2013-01-22 US disclosed
US-8357633-B2 2-(2-fluoro-substituted phenyl)-6-amino-5-chloro-4-pyrimidinecarboxylates and their use as herbicides DOW AGROSCIENCES, LLC (US) 2013-01-22 US disclosed
EP-2264034-A1 BICYCLIC PYRROLE COMPOUND Dainippon Sumitomo Pharma Co., Ltd. (JP) 2010-12-22 EP disclosed
US-20100120621-A1 2-(2-FLUORO-SUBSTITUTED PHENYL)-6-AMINO-5-CHLORO-4-PYRIMIDINECARBOXYLATES AND THEIR USE AS HERBICIDES DOW AGROSCIENCES LLC (US) 2010-05-13 US disclosed
US-20100120621-A1 2-(2-FLUORO-SUBSTITUTED PHENYL)-6-AMINO-5-CHLORO-4-PYRIMIDINECARBOXYLATES AND THEIR USE AS HERBICIDES DOW AGROSCIENCES LLC (US) 2010-05-13 US disclosed
US-20100120621-A1 2-(2-FLUORO-SUBSTITUTED PHENYL)-6-AMINO-5-CHLORO-4-PYRIMIDINECARBOXYLATES AND THEIR USE AS HERBICIDES DOW AGROSCIENCES LLC (US) 2010-05-13 US disclosed
EP-2176239-A1 2-(2-FLUORO-SUBSTITUTED PHENYL)-6-AMINO-5-CHLORO-4-PYRIMIDINECARBOXYLATES AND THEIR USE AS HERBICIDES Dow AgroSciences LLC (US) 2010-04-21 EP disclosed
WO-2009023438-A1 2-(2-FLUORO-SUBSTITUTED PHENYL)-6-AMINO-5-CHLORO-4-PYRIMIDINECARBOXYLATES AND THEIR USE AS HERBICIDES DOW AGROSCIENCES LLC (US) 2009-02-19 WO disclosed
WO-2009023438-A1 2-(2-FLUORO-SUBSTITUTED PHENYL)-6-AMINO-5-CHLORO-4-PYRIMIDINECARBOXYLATES AND THEIR USE AS HERBICIDES DOW AGROSCIENCES LLC (US) 2009-02-19 WO disclosed
US-20090048109-A1 2-(2-FLUORO-SUBSTITUTED PHENYL)-6-AMINO-5-CHLORO-4-PYRIMIDINECARBOXYLATES AND THEIR USE AS HERBICIDES DOW AGROSCIENCES LLC (US) 2009-02-19 US disclosed
US-20090048109-A1 2-(2-FLUORO-SUBSTITUTED PHENYL)-6-AMINO-5-CHLORO-4-PYRIMIDINECARBOXYLATES AND THEIR USE AS HERBICIDES DOW AGROSCIENCES LLC (US) 2009-02-19 US disclosed
US-20090048109-A1 2-(2-FLUORO-SUBSTITUTED PHENYL)-6-AMINO-5-CHLORO-4-PYRIMIDINECARBOXYLATES AND THEIR USE AS HERBICIDES DOW AGROSCIENCES LLC (US) 2009-02-19 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 (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-20100120621-A1 2-(2-FLUORO-SUBSTITUTED PHENYL)-6-AMINO-5-CHLORO-4-PYRIMIDINECARBOXYLATES AND THEIR USE AS HERBICIDES DDT, DDC, PFAS ALDH1A1 314/4885MAPT 2800/4885XBP1 4224/4885
US-20090048109-A1 2-(2-FLUORO-SUBSTITUTED PHENYL)-6-AMINO-5-CHLORO-4-PYRIMIDINECARBOXYLATES AND THEIR USE AS HERBICIDES DDT, DDC, PFAS ALDH1A1 348/4885MAPT 2783/4885XBP1 4219/4885
US-20130109573-A1 2-(2-FLUORO-SUBSTITUTED PHENYL)-6-AMINO-5-CHLORO-4-PYRIMIDINECARBOXYLATES AND THEIR USE AS HERBICIDES DDT, DDC, PFAS ALDH1A1 314/4885MAPT 2800/4885XBP1 4224/4885

“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.