SCHEMBL3246536

SCHEMBL3246536

COC(=O)COc1ncccc1Oc1cc(NC(=O)CC(=O)C(F)(F)F)c(F)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
P2RY1 P47900 7/20 0.41
THRB P10828 1/20 0.38
MAPK8 P45983 1/20 0.38
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
LMNA P02545 2/20 0.36
GAA P10253 1/20 0.36
HTR1A P08908 1/20 0.36
DRD2 P14416 1/20 0.36
ADRA1A P35348 1/20 0.36
MAPT P10636 1/20 0.36
CARM1 Q86X55 1/20 0.35
TP53 P04637 1/20 0.34
ROCK2 O75116 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
SCHEMBL21104629 0.92 THRB (0.41) P2RY1THRBMAPK8KDM4EMEN1
SCHEMBL3955026 0.87 ATM (0.42) P2RY1THRBMAPK8KDM4EMEN1
SCHEMBL3246532 0.86 P2RY1 (0.40) P2RY1THRBMAPK8KDM4EMEN1
SCHEMBL21307579 0.83 P2RY1 (0.41) P2RY1KDM4EMEN1CYP1A2CYP2C19
SCHEMBL21035048 0.81 MAPK8 (0.40) P2RY1THRBMAPK8KDM4EMEN1
SCHEMBL3251673 0.81 P2RY1 (0.39) P2RY1THRBMAPK8LMNAMAPT
SCHEMBL21034418 0.81 MAPK8 (0.44) P2RY1THRBMAPK8KDM4EMEN1
SCHEMBL3250748 0.80 MAPK8 (0.43) P2RY1MAPK8LMNAHTR1ADRD2
SCHEMBL22488063 0.80 MAPK8 (0.43) P2RY1THRBMAPK8LMNAHTR1A
SCHEMBL6637969 0.79 P2RY1 (0.41) P2RY1THRBMAPK8KMT2ALMNA

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 14 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
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
EP-1736052-A2 Stem/leaf desiccant Sumitomo Chemical Company, Limited (JP) 2006-12-27 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
EP-1397958-A1 STEAM/LEAF DESSICANT SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-03-17 EP disclosed
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 disclosed
EP-1122244-A1 Uracil compounds and their use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-08-08 EP 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 P2RY1 4512/4885THRB 1494/4885MAPK8 1440/4885
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 P2RY1 768/4885THRB 4026/4885MAPK8 2183/4885
US-20040138063-A1 Using an acylurea compound containing pyrimidine ring CPS1, ACACA, ODC1 P2RY1 1347/4885THRB 4129/4885MAPK8 2444/4885

“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.