SCHEMBL3841828

SCHEMBL3841828

COc1c(CF)ccc(-c2cc(NC(C)=O)c(Cl)c(C(=O)O)n2)c1F

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.36
PDCD1LG2 Q9BQ51 3/20 0.36
CD274 Q9NZQ7 3/20 0.36
ADORA3 P0DMS8 6/20 0.35
KDM4E B2RXH2 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ADORA2A P29274 4/20 0.34
ADORA2B P29275 2/20 0.34
ADORA1 P30542 1/20 0.33
NUDT1 P36639 1/20 0.32
POLB P06746 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
LMNA P02545 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL1919622 0.88 ALDH1A1 (0.38) RIPK1ADORA3KDM4EHSD17B10ADORA2A
SCHEMBL17797220 0.87 PDCD1LG2 (0.39) RIPK1PDCD1LG2CD274ADORA3ADORA2A
SCHEMBL3841889 0.86 ALOX5AP (0.39) RIPK1ADORA3KDM4EHSD17B10ADORA2A
SCHEMBL3837464 0.85 ADORA3 (0.38) RIPK1ADORA3KDM4EHSD17B10ADORA2A
SCHEMBL3842800 0.83 PDCD1LG2 (0.36) PDCD1LG2CD274
SCHEMBL28774834 0.82 RORC (0.40) RIPK1ADORA3KDM4EHSD17B10LMNA
SCHEMBL3836957 0.82 CYP1A2 (0.38) ADORA3KDM4EHSD17B10ADORA2ALMNA
SCHEMBL3840756 0.81 CLCN2 (0.35) RIPK1ADORA3KDM4EHSD17B10ADORA2A
SCHEMBL3839336 0.81 KDM4E (0.43) RIPK1ADORA3KDM4EHSD17B10ADORA2A
SCHEMBL3842956 0.81 ADORA3 (0.36) ADORA3KDM4EHSD17B10ADORA2AADORA2B

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-2060566-B1 Poly-substituted aryls DOW AGROSCIENCES LLC (US) 2016-06-08 EP claimed
EP-2060566-B1 Poly-substituted aryls DOW AGROSCIENCES LLC (US) 2016-06-08 EP disclosed
EP-1973881-B1 6-(POLY-SUBSTITUTED ARYL)-4-AMINOPICOLINATES AND THEIR USE AS HERBICIDES DOW AGROSCIENCES LLC (US) 2009-10-28 EP disclosed
EP-2060566-A1 Poly-substituted aryls Dow AgroSciences LLC (US) 2009-05-20 EP disclosed
US-7498468-B2 6-(poly-substituted aryl)-4-aminopicolinates and their use as herbicides DOW AGROSCIENCES LLC (US) 2009-03-03 US disclosed
EP-1973881-A2 6-(POLY-SUBSTITUTED ARYL)-4-AMINOPICOLINATES AND THEIR USE AS HERBICIDES Dow Agrosciences LLC (US) 2008-10-01 EP disclosed
US-20080051596-A1 6-(poly-substituted aryl)-4-aminopicolinates and their use as herbicides DOW AGROSCIENCES LLC (US) 2008-02-28 US disclosed
US-20080045734-A1 6-(poly-substituted aryl)-4-aminopicolinates and their use as herbicides DOW AGROSCIENCES LLC (US) 2008-02-21 US disclosed
US-7314849-B2 6-(poly-substituted aryl)-4-aminopicolinates and their use as herbicides DOW AGROSCIENCES LLC (US) 2008-01-01 US disclosed
US-20070179060-A1 6-(Poly-substituted aryl)-4-aminopicolinates and their use as herbicides CORTEVA AGRISCIENCE LLC 2007-08-02 US disclosed
WO-2007082098-A2 6-(POLY-SUBSTITUTED ARYL)-4-AMINOPICOLINATES AND THEIR USE AS HERBICIDES DOW AGROSCIENCES LLC (US) 2007-07-19 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-20080045734-A1 6-(poly-substituted aryl)-4-aminopicolinates and their use as herbicides AAAS, DDT, AADAC RIPK1 4778/4885PDCD1LG2 1509/4885CD274 2720/4885
US-20070179060-A1 6-(Poly-substituted aryl)-4-aminopicolinates and their use as herbicides AAAS, DDT, AADAC RIPK1 4778/4885PDCD1LG2 1509/4885CD274 2720/4885
US-20080051596-A1 6-(poly-substituted aryl)-4-aminopicolinates and their use as herbicides AAAS, DDT, AADAC RIPK1 4778/4885PDCD1LG2 1509/4885CD274 2720/4885

“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.