SCHEMBL3765253

SCHEMBL3765253

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 1/20 0.40
MAPK1 P28482 3/20 0.39
GPBAR1 Q8TDU6 1/20 0.38
LMNA P02545 3/20 0.37
ALOX15 P16050 4/20 0.34
TP53 P04637 2/20 0.34
MAPT P10636 2/20 0.34
ALDH1A1 P00352 2/20 0.33
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
POLB P06746 2/20 0.32
TSHR P16473 2/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 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
SCHEMBL1703055 0.87 MAPK1 (0.43) TLR4MAPK1GPBAR1LMNAALOX15
SCHEMBL1703053 0.87 MAPK1 (0.43) TLR4MAPK1GPBAR1LMNAALOX15
SCHEMBL3770518 0.85 ABCC1 (0.41) LMNATP53MAPTALDH1A1MEN1
SCHEMBL3770516 0.85 ABCC1 (0.41) LMNATP53MAPTALDH1A1MEN1
SCHEMBL1706062 0.83 MAPK1 (0.32) TLR4MAPK1LMNATP53MAPT
SCHEMBL3761145 0.83 MAPK1 (0.32) TLR4MAPK1LMNATP53MAPT
SCHEMBL3765583 0.82 MAPK1 (0.41) TLR4MAPK1GPBAR1LMNAALOX15
SCHEMBL3765581 0.82 MAPK1 (0.41) TLR4MAPK1GPBAR1LMNAALOX15
SCHEMBL1703054 0.81 MAPK1 (0.47) TLR4MAPK1GPBAR1LMNAALOX15
SCHEMBL12011109 0.81 MAPK1 (0.44) TLR4MAPK1GPBAR1LMNAALOX15

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 9 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
US-8252938-B2 Process for the preparation of 6-(aryl)-4-aminopicolinates DOW AGROSCIENCES, LLC. (US) 2012-08-28 US disclosed
US-20100311594-A1 3-HALO-(ARLY)-4-IMINOTETRAHYDROPICOLINATES AND THEIR USE AS HERBICIDES 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
US-20100311981-A1 PROCESS FOR THE PREPARATION OF 6-(ARYL)-4-AMINOPICOLINATES DOW AGROSCIENCES LLC (US) 2010-12-09 US disclosed
US-20100311981-A1 PROCESS FOR THE PREPARATION OF 6-(ARYL)-4-AMINOPICOLINATES 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 TLR4 1214/4885MAPK1 3420/4885GPBAR1 569/4885
US-20100311594-A1 3-HALO-(ARLY)-4-IMINOTETRAHYDROPICOLINATES AND THEIR USE AS HERBICIDES HDHD5, ATL3, HCAR3 TLR4 2974/4885MAPK1 4267/4885GPBAR1 889/4885

“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.