SCHEMBL3770516

SCHEMBL3770516

CCOC(=O)C1=C/C(=N\OS(C)(=O)=O)CC(c2ccc(Cl)cc2)N1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC1 P33527 1/20 0.41
ALOX12 P18054 2/20 0.41
HTT P42858 2/20 0.41
LMNA P02545 1/20 0.41
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA7 P43166 2/20 0.40
CA9 Q16790 2/20 0.40
GAA P10253 2/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 4/20 0.39
NPSR1 Q6W5P4 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
HPGD P15428 2/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
RECQL P46063 1/20 0.38
CREBBP Q92793 1/20 0.38
MAPT P10636 2/20 0.37

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
SCHEMBL3770518 1.00 ABCC1 (0.41) ABCC1ALOX12HTTLMNACA12
SCHEMBL3763795 0.89 SLC6A3 (0.38) LMNACA1CA2CA7GAA
SCHEMBL15121579 0.86 PTGS2 (0.31) GAAALDH1A1TP53MAPT
SCHEMBL1702689 0.85 ABCC1 (0.46) ABCC1ALOX12HTTLMNACA12
SCHEMBL1702687 0.85 ABCC1 (0.46) ABCC1ALOX12HTTLMNACA12
SCHEMBL3765253 0.85 TLR4 (0.40) LMNAGAAALDH1A1TP53SMN1; SMN2
SCHEMBL3768505 0.80 ABCC1 (0.41) ABCC1ALOX12HTTLMNACA12
SCHEMBL3768503 0.80 ABCC1 (0.41) ABCC1ALOX12HTTLMNACA12
SCHEMBL1703162 0.79 ABCC1 (0.49) ABCC1ALOX12HTTLMNACA12
SCHEMBL3761145 0.79 MAPK1 (0.32) LMNAGAAALDH1A1TP53NPSR1

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 6 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-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 ABCC1 4213/4885ALOX12 3172/4885HTT 93/4885
US-20100311594-A1 3-HALO-(ARLY)-4-IMINOTETRAHYDROPICOLINATES AND THEIR USE AS HERBICIDES HDHD5, ATL3, HCAR3 ABCC1 1583/4885ALOX12 2752/4885HTT 67/4885

“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.