SCHEMBL15440484

SCHEMBL15440484

CC(C)OC(=O)c1cccc(-c2ccc(Cl)c(Cl)c2)n1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.51
SLC6A3 Q01959 1/20 0.51
ALDH1A1 P00352 2/20 0.50
MAPT P10636 2/20 0.46
HSD17B1 P14061 1/20 0.45
HSD17B2 P37059 1/20 0.45
KMO O15229 5/20 0.45
SCN9A Q15858 1/20 0.44
HSD17B14 Q9BPX1 1/20 0.44
ABL1 P00519 1/20 0.44
CNR2 P34972 3/20 0.43
CNR1 P21554 1/20 0.43
LMNA P02545 1/20 0.43
NOTUM Q6P988 1/20 0.41

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
SCHEMBL4436292 0.85 NOTUM (0.57) SLC6A2SLC6A3MAPTHSD17B1HSD17B2
SCHEMBL22939567 0.81 ALDH1A1 (0.51) ALDH1A1MAPTHSD17B1HSD17B2SCN9A
SCHEMBL16726594 0.80 ALDH1A1 (0.54) ALDH1A1MAPTHSD17B14CNR2CNR1
SCHEMBL22939592 0.80 ALDH1A1 (0.50) ALDH1A1MAPTSCN9ACNR2LMNA
SCHEMBL14742192 0.79 KMO (0.64) SLC6A2SLC6A3KMO
SCHEMBL15441619 0.79 KMO (0.63) HSD17B1HSD17B2KMOSCN9AHSD17B14
SCHEMBL22939586 0.78 MAPT (0.58) ALDH1A1MAPTSCN9ALMNA
SCHEMBL22939859 0.77 ALDH1A1 (0.48) ALDH1A1MAPTSCN9AHSD17B14LMNA
SCHEMBL22939961 0.77 ALDH1A1 (0.48) ALDH1A1MAPTSCN9ACNR2CNR1
SCHEMBL22939579 0.76 MAPT (0.59) ALDH1A1MAPTSCN9ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021019051-A1 INHIBITORS OF HUMAN ATGL Karl-Franzens-Universität Graz (AT) 2021-02-04 WO disclosed
EP-2877452-B1 FLUOROPICOLINOYL FLUORIDES AND PROCESSES FOR THEIR PREPARATION DOW AGROSCIENCES LLC (US) 2017-08-23 EP disclosed
EP-2877453-B1 PROCESS FOR THE PREPARATION OF 4-AMINO-5-FLUORO-3-HALO-6-(SUBSTITUTED)PICOLINATES DOW AGROSCIENCES LLC (US) 2016-07-06 EP disclosed
US-9376388-B2 Fluoropicolinoyl fluorides and processes for their preparation DOW AGROSCIENCES LLC (US) 2016-06-28 US disclosed
US-20150191428-A1 FLUOROPICOLINOYL FLUORIDES AND PROCESSES FOR THEIR PREPARATION CORTEVA AGRISCIENCE LLC 2015-07-09 US disclosed
EP-2877453-A1 PROCESS FOR THE PREPARATION OF 4-AMINO-5-FLUORO-3-HALO-6-(SUBSTITUTED)PICOLINATES Dow AgroSciences LLC (US) 2015-06-03 EP disclosed
EP-2877452-A1 FLUOROPICOLINOYL FLUORIDES AND PROCESSES FOR THEIR PREPARATION Dow AgroSciences LLC (US) 2015-06-03 EP disclosed
US-9045427-B2 Fluoropicolinoyl fluorides and processes for their preparation DOW AGROSCIENCES LLC (US) 2015-06-02 US disclosed
US-8871943-B2 Process for the preparation of 4-amino-5-fluoro-3-halo-6-(substituted)picolinates DOW AGROSCIENCES, LLC. (US) 2014-10-28 US disclosed
US-20140031556-A1 PROCESS FOR THE PREPARATION OF 4-AMINO-5-FLUORO-3-HALO-6-(SUBSTITUTED)PICOLINATES DOW AGROSCIENCES LLC (US) 2014-01-30 US disclosed
WO-2014018506-A1 FLUOROPICOLINOYL FLUORIDES AND PROCESSES FOR THEIR PREPARATION DOW AGROSCIENCES LLC (US) 2014-01-30 WO disclosed
US-20140031558-A1 FLUOROPICOLINOYL FLUORIDES AND PROCESSES FOR THEIR PREPARATION DOW AGROSCIENCES LLC (US) 2014-01-30 US disclosed
WO-2014018502-A1 PROCESS FOR THE PREPARATION OF 4-AMINO-5-FLUORO-3-HALO-6-(SUBSTITUTED)PICOLINATES DOW AGROSCIENCES LLC (US) 2014-01-30 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-20140031556-A1 PROCESS FOR THE PREPARATION OF 4-AMINO-5-FLUORO-3-HALO-6-(SUBSTITUTED)PICOLINATES CLIC4, NPEPPS, CYP4F3 SLC6A2 654/4885SLC6A3 201/4885ALDH1A1 3201/4885
US-20150191428-A1 FLUOROPICOLINOYL FLUORIDES AND PROCESSES FOR THEIR PREPARATION FLI1, ABL1, FLNA SLC6A2 3267/4885SLC6A3 2715/4885ALDH1A1 2088/4885
US-20140031558-A1 FLUOROPICOLINOYL FLUORIDES AND PROCESSES FOR THEIR PREPARATION FLI1, ABL1, FLNA SLC6A2 3267/4885SLC6A3 2715/4885ALDH1A1 2088/4885

“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.