SCHEMBL3245240

SCHEMBL3245240

CC(=O)OC(Oc1ncccc1Oc1cc(-n2c(=O)cc(C(F)(F)F)n(C)c2=O)c(F)cc1Cl)C(=O)O

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 8/20 0.32
BCAT1 P54687 3/20 0.32
BCAT2 O15382 2/20 0.32
CYP3A4 P08684 3/20 0.31
UGCG Q16739 3/20 0.31
MAT2A P31153 1/20 0.31
PDE4B Q07343 2/20 0.31
PDE4D Q08499 2/20 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
SCHEMBL26113058 0.91 DHODH (0.34) DHODHBCAT1BCAT2CYP3A4UGCG
SCHEMBL3242002 0.89 DHODH (0.35) DHODHBCAT1BCAT2CYP3A4UGCG
SCHEMBL7639795 0.88 BCAT1 (0.35) DHODHBCAT1BCAT2CYP3A4UGCG
SCHEMBL39853 0.87 DHODH (0.33) DHODHBCAT1BCAT2CYP3A4UGCG
SCHEMBL3247630 0.86 BCAT1 (0.34) DHODHBCAT1BCAT2CYP3A4UGCG
SCHEMBL6637329 0.85 DHODH (0.34) DHODHBCAT1BCAT2CYP3A4UGCG
SCHEMBL6641668 0.85 BCAT1 (0.34) DHODHBCAT1BCAT2CYP3A4UGCG
SCHEMBL3952530 0.85 DHODH (0.36) DHODHBCAT1BCAT2CYP3A4UGCG
SCHEMBL2594502 0.85 BCAT1 (0.41) DHODHBCAT1BCAT2CYP3A4UGCG
SCHEMBL27008034 0.85 BCAT1 (0.33) DHODHBCAT1BCAT2CYP3A4UGCG

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1736052-B1 Stem/leaf desiccant SUMITOMO CHEMICAL CO (JP) 2010-04-21 EP disclosed
US-7538072-B2 Stem/leaf desiccant SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-05-26 US disclosed
EP-1397958-B1 STEM/LEAF DESICCANT SUMITOMO CHEMICAL CO (JP) 2007-01-10 EP disclosed
US-20060234865-A1 Using an acylurea compound containing pyrimidine ring;; used before the harvest of crops such as potato, sunflower, soybean, rape, sorghum and the like; methyl [2-{2-chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)-1,2,3,6-tetrahydropyrimidin-1-yl]phenoxy}phenoxy]acetate SUMITOMO CHEMICAL COMPANY, LIMITED 2006-10-19 US disclosed
US-7115544-B2 Plant growth regulators for cotton hervest SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-10-03 US disclosed
US-7109148-B2 Stem/leaf desiccant SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-09-19 US disclosed
US-20040152597-A1 Plant growth regulators for cotton hervest SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-08-05 US disclosed
WO-2002098227-A1 PLANT GROWTH REGULATORS FOR COTTON HERVEST SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-12-12 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 (2 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-20040152597-A1 Plant growth regulators for cotton hervest GHDC, CBR3, CBR1 DHODH 3736/4885BCAT1 40/4885BCAT2 428/4885
US-20060234865-A1 Using an acylurea compound containing pyrimidine ring;; used before the harvest of crops such as potato, sunflower, soybean, rape, sorghum and the like; methyl [2-{2-chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)-1,2,3,6-tetrahydropyrimidin-1-yl]phenoxy}phenoxy]acetate CPS1, H1-0, H1-3 DHODH 293/4885BCAT1 433/4885BCAT2 1037/4885

“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.