SCHEMBL1703053

SCHEMBL1703053

CCOC(=O)C1=C/C(=N/O)CC(c2ccc(Cl)cc2F)N1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.43
GPBAR1 Q8TDU6 1/20 0.41
LMNA P02545 2/20 0.40
TLR4 O00206 1/20 0.37
ALOX15 P16050 3/20 0.36
ALDH1A1 P00352 2/20 0.35
CXCR3 P49682 1/20 0.35
POLB P06746 1/20 0.35
TSHR P16473 1/20 0.35
TP53 P04637 1/20 0.35
ABCC1 P33527 1/20 0.34
ALOX12 P18054 2/20 0.34
HTT P42858 1/20 0.34
MAPT P10636 1/20 0.34
DPP4 P27487 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GAA P10253 1/20 0.34
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 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
SCHEMBL1703055 1.00 MAPK1 (0.43) MAPK1GPBAR1LMNATLR4ALOX15
SCHEMBL3765253 0.87 TLR4 (0.40) MAPK1GPBAR1LMNATLR4ALOX15
SCHEMBL1706058 0.87 TLR4 (0.40) MAPK1GPBAR1LMNATLR4ALOX15
SCHEMBL1703054 0.86 MAPK1 (0.47) MAPK1GPBAR1LMNATLR4ALOX15
SCHEMBL12011109 0.85 MAPK1 (0.44) MAPK1GPBAR1LMNATLR4ALOX15
SCHEMBL27881392 0.84 PRKAB2 (0.36) GPBAR1GAA
SCHEMBL1702687 0.83 ABCC1 (0.46) LMNAALDH1A1TSHRTP53ABCC1
SCHEMBL1702689 0.83 ABCC1 (0.46) LMNAALDH1A1TSHRTP53ABCC1
SCHEMBL3765583 0.71 MAPK1 (0.41) MAPK1GPBAR1LMNATLR4ALOX15
SCHEMBL3765581 0.71 MAPK1 (0.41) MAPK1GPBAR1LMNATLR4ALOX15

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-2440526-B1 3-HALO-6-(ARLY)-4-IMINOTETRAHYDROPICOLINATES AND THEIR USE AS HERBICIDES DOW AGROSCIENCES LLC (US) 2014-11-12 EP disclosed
US-8598086-B2 3-halo-(arly)-4-iminotetrahydropicolinates and their use as herbicides DOW AGROSCIENCES, LLC. (US) 2013-12-03 US disclosed
EP-2440530-B1 PROCESS FOR THE PREPARATION OF 6-(ARYL)-4-AMINOPICOLINATES DOW AGROSCIENCES LLC (US) 2013-07-24 EP disclosed
US-8252938-B2 Process for the preparation of 6-(aryl)-4-aminopicolinates DOW AGROSCIENCES, LLC. (US) 2012-08-28 US disclosed
EP-2440530-A1 PROCESS FOR THE PREPARATION OF 6-(ARYL)-4-AMINOPICOLINATES Dow AgroSciences LLC (US) 2012-04-18 EP disclosed
EP-2440526-A1 3-HALO-6-(ARLY)-4-IMINOTETRAHYDROPICOLINATES AND THEIR USE AS HERBICIDES Dow AgroSciences LLC (US) 2012-04-18 EP disclosed
WO-2010144380-A1 PROCESS FOR THE PREPARATION OF 6-(ARYL)-4-AMINOPICOLINATES DOW AGROSCIENCES LLC (US) 2010-12-16 WO disclosed
WO-2010144379-A1 3-HALO-(ARLY)-4-IMINOTETRAHYDROPICOLINATES AND THEIR USE AS HERBICIDES DOW AGROSCIENCES LLC (US) 2010-12-16 WO disclosed
US-20100311981-A1 PROCESS FOR THE PREPARATION OF 6-(ARYL)-4-AMINOPICOLINATES DOW AGROSCIENCES LLC (US) 2010-12-09 US disclosed
US-20100311594-A1 3-HALO-(ARLY)-4-IMINOTETRAHYDROPICOLINATES AND THEIR USE AS HERBICIDES DOW AGROSCIENCES LLC (US) 2010-12-09 US 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 (2 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-20100311981-A1 PROCESS FOR THE PREPARATION OF 6-(ARYL)-4-AMINOPICOLINATES HTR6, CYP46A1, NISCH MAPK1 3420/4885GPBAR1 569/4885LMNA 2437/4885
US-20100311594-A1 3-HALO-(ARLY)-4-IMINOTETRAHYDROPICOLINATES AND THEIR USE AS HERBICIDES HDHD5, ATL3, HCAR3 MAPK1 4267/4885GPBAR1 889/4885LMNA 4632/4885

“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.