SCHEMBL3765583

SCHEMBL3765583

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

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.41
TLR4 O00206 1/20 0.40
GPBAR1 Q8TDU6 1/20 0.38
LMNA P02545 2/20 0.37
MAPT P10636 3/20 0.34
TP53 P04637 2/20 0.34
ALDH1A1 P00352 1/20 0.34
CXCR3 P49682 1/20 0.34
POLB P06746 1/20 0.34
TSHR P16473 1/20 0.34
ALOX15 P16050 4/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
PDE3B Q13370 1/20 0.32
PDE3A Q14432 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
SCHEMBL3765581 1.00 MAPK1 (0.41) MAPK1TLR4GPBAR1LMNAMAPT
SCHEMBL3765724 0.90 SLC6A3 (0.35) TLR4GPBAR1MAPTALDH1A1POLB
SCHEMBL3765719 0.90 SLC6A3 (0.35) TLR4GPBAR1MAPTALDH1A1POLB
SCHEMBL27881389 0.88 GPBAR1 (0.35) GPBAR1
SCHEMBL3768503 0.85 ABCC1 (0.41) MAPK1LMNATP53ALDH1A1TSHR
SCHEMBL3768505 0.85 ABCC1 (0.41) MAPK1LMNATP53ALDH1A1TSHR
SCHEMBL1705579 0.83 MAPK1 (0.34) MAPK1TLR4LMNAMAPTTP53
SCHEMBL1705578 0.83 MAPK1 (0.34) MAPK1TLR4LMNAMAPTTP53
SCHEMBL3765253 0.82 TLR4 (0.40) MAPK1TLR4GPBAR1LMNAMAPT
SCHEMBL14354320 0.80 GPBAR1 (0.34) TLR4GPBAR1

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 5 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
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-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 MAPK1 3420/4885TLR4 1214/4885GPBAR1 569/4885
US-20100311594-A1 3-HALO-(ARLY)-4-IMINOTETRAHYDROPICOLINATES AND THEIR USE AS HERBICIDES HDHD5, ATL3, HCAR3 MAPK1 4267/4885TLR4 2974/4885GPBAR1 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.