SCHEMBL15440532

SCHEMBL15440532

COC(=O)c1nc(-c2ccc(Cl)c(OC)c2F)c(F)c(NC(C)=O)c1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
ALDH1A1 P00352 1/20 0.36
TAS1R3 Q7RTX0 2/20 0.36
TAS1R1 Q7RTX1 2/20 0.36
MEP1B Q16820 1/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
IDO1 P14902 1/20 0.35
TAS1R2 Q8TE23 1/20 0.35
ADORA3 P0DMS8 5/20 0.34
KMT2A Q03164 2/20 0.34
PTPN1 P18031 1/20 0.34
F2 P00734 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ADORA2A P29274 2/20 0.33
ADORA2B P29275 2/20 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
SCHEMBL30185246 0.86 TAS1R3 (0.40) ALDH1A1TAS1R3TAS1R1MEP1BKDM4E
SCHEMBL24985552 0.86 TAS1R3 (0.40) ALDH1A1TAS1R3TAS1R1MEP1BKDM4E
SCHEMBL2467013 0.84 CNR1 (0.46) CNR1CNR2KDM4EADORA3ALPL
SCHEMBL3330070 0.83 KDM4E (0.38) ALDH1A1TAS1R3TAS1R1MEP1BKDM4E
SCHEMBL29489593 0.83 KDM4E (0.38) ALDH1A1TAS1R3TAS1R1MEP1BKDM4E
SCHEMBL20611020 0.81 MEP1B (0.37) ALDH1A1TAS1R3TAS1R1MEP1BKDM4E
SCHEMBL14354469 0.79 KDM4E (0.39) ALDH1A1TAS1R3TAS1R1MEP1BKDM4E
SCHEMBL1918400 0.79 ALDH1A1 (0.43) ALDH1A1TAS1R3TAS1R1MEP1BTAS1R2
SCHEMBL28425097 0.79 KDM4E (0.37) ALDH1A1TAS1R3TAS1R1MEP1BKDM4E
SCHEMBL15440065 0.78 ALDH1A1 (0.44) CNR1CNR2ALDH1A1TAS1R3TAS1R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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
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-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-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
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
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-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 (1 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 CNR1 2685/4885CNR2 3237/4885ALDH1A1 3201/4885

“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.