SCHEMBL3952115

SCHEMBL3952115

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

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPOX P50336 3/20 0.41
DHODH Q02127 12/20 0.35
BCAT1 P54687 3/20 0.33
BCAT2 O15382 2/20 0.33
CYP3A4 P08684 1/20 0.33
UGCG Q16739 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
SCHEMBL3952530 0.92 DHODH (0.36) PPOXDHODHBCAT1BCAT2CYP3A4
SCHEMBL3955892 0.91 DHODH (0.33) PPOXDHODHBCAT1
SCHEMBL3242002 0.91 DHODH (0.35) DHODHBCAT1BCAT2CYP3A4UGCG
SCHEMBL30877113 0.89 PPOX (0.33) PPOXDHODHBCAT1BCAT2CYP3A4
SCHEMBL3952518 0.89 PPOX (0.47) PPOXDHODHBCAT1BCAT2
SCHEMBL19641842 0.88 DHODH (0.37) PPOXDHODH
SCHEMBL29351496 0.88 PPOX (0.41) PPOXBCAT1BCAT2CYP3A4UGCG
SCHEMBL121222 0.88 PPOX (0.41) PPOXBCAT1BCAT2CYP3A4UGCG
SCHEMBL20334530 0.87 BCAT1 (0.36) PPOXBCAT1BCAT2CYP3A4UGCG
SCHEMBL39853 0.87 DHODH (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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1122244-B1 Uracil compounds and their use SUMITOMO CHEMICAL CO (JP) 2004-09-29 EP claimed
US-6537948-B1 Have a wide range of herbicidal spectrum, and causes no phytotoxicity on crops SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-03-25 US claimed
EP-1122244-A1 Uracil compounds and their use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-08-08 EP claimed
US-7538072-B2 Stem/leaf desiccant SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-05-26 US 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
EP-1122244-B1 Uracil compounds and their use SUMITOMO CHEMICAL CO (JP) 2004-09-29 EP disclosed
US-20040152597-A1 Plant growth regulators for cotton hervest SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-08-05 US disclosed
US-20040138063-A1 Using an acylurea compound containing pyrimidine ring SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-07-15 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-20040152597-A1 Plant growth regulators for cotton hervest GHDC, CBR3, CBR1 PPOX 1836/4885DHODH 3736/4885BCAT1 40/4885
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 PPOX 711/4885DHODH 293/4885BCAT1 433/4885
US-20040138063-A1 Using an acylurea compound containing pyrimidine ring CPS1, ACACA, ODC1 PPOX 2200/4885DHODH 644/4885BCAT1 349/4885

“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.