SCHEMBL3246458

SCHEMBL3246458

Cn1c(C(F)(F)F)cc(=O)n(-c2cc(Oc3ccccc3OCC(=O)O)c(N)cc2F)c1=O

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BCAT1 P54687 6/20 0.38
BCAT2 O15382 4/20 0.35
POLB P06746 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GLA P06280 1/20 0.35
PKM P14618 2/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
KMT2A Q03164 1/20 0.35
GNRHR P30968 1/20 0.34
PTGDR2 Q9Y5Y4 4/20 0.34
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
GRM4 Q14833 1/20 0.32
BRD4 O60885 1/20 0.32

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
SCHEMBL6246196 0.92 BCAT1 (0.39) BCAT1BCAT2POLBL3MBTL1SMN1; SMN2
SCHEMBL6248226 0.91 BCAT1 (0.37) BCAT1BCAT2POLBSMN1; SMN2MEN1
SCHEMBL6245829 0.89 PKM (0.39) BCAT1BCAT2POLBL3MBTL1SMN1; SMN2
SCHEMBL29452779 0.89 BCAT1 (0.39) BCAT1BCAT2POLBL3MBTL1SMN1; SMN2
SCHEMBL3245244 0.89 BCAT1 (0.39) BCAT1BCAT2POLBL3MBTL1SMN1; SMN2
SCHEMBL3248273 0.89 PKM (0.34) BCAT1BCAT2PKM
SCHEMBL1527258 0.88 BCAT1 (0.38) BCAT1BCAT2ALDH1A1MAPTBRD4
SCHEMBL6263807 0.87 BCAT1 (0.50) BCAT1BCAT2
SCHEMBL7594905 0.86 BCAT1 (0.39) BCAT1BCAT2
SCHEMBL3248247 0.86 ALDH1A1 (0.37) BCAT1BCAT2POLBMEN1LMNA

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 11 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
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
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
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 (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 BCAT1 40/4885BCAT2 428/4885POLB 3919/4885
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 BCAT1 433/4885BCAT2 1037/4885POLB 2551/4885
US-20040138063-A1 Using an acylurea compound containing pyrimidine ring CPS1, ACACA, ODC1 BCAT1 349/4885BCAT2 1020/4885POLB 2052/4885

“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.