SCHEMBL17196886

SCHEMBL17196886

CN(c1cccc(COS(C)(=O)=O)c1C(F)(F)F)S(C)(=O)=O

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.37
CYP19A1 P11511 5/20 0.35
PTK2 Q05397 7/20 0.35
PTK2B Q14289 1/20 0.35
CLK2 P49760 1/20 0.33
AURKB Q96GD4 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
NR3C1 P04150 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TYK2 P29597 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MEN1 O00255 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
SCHEMBL18804633 0.84 KMT2A (0.39) KMT2ACYP19A1PTK2PTK2BCLK2
SCHEMBL20246840 0.84 KMT2A (0.35) KMT2ACYP19A1PTK2PTK2BCLK2
SCHEMBL17187943 0.82 KMT2A (0.39) KMT2ACYP19A1PTK2PTK2BCLK2
SCHEMBL17196823 0.78 KMT2A (0.37) KMT2APTK2PTK2BCLK2AURKB
SCHEMBL16822070 0.77 P2RX7 (0.34)
SCHEMBL17187948 0.75 PTK2 (0.41) KMT2APTK2SMN1; SMN2TYK2ALDH1A1
SCHEMBL17187964 0.74 KMT2A (0.39) KMT2APTK2CLK2AURKBCLK4
SCHEMBL17187868 0.74 KMT2A (0.39) KMT2APTK2PTK2BSMN1; SMN2TYK2
SCHEMBL28113687 0.71 NPC1 (0.32) PTK2PTK2BCLK2AURKBCLK4
SCHEMBL4679010 0.70 IDO1 (0.56) KMT2ANR3C1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10023590-B2 Substituted pyridine compounds having herbicidal activity BASF SE (DE) 2018-07-17 US disclosed
US-10023590-B2 Substituted pyridine compounds having herbicidal activity BASF SE (DE) 2018-07-17 US disclosed
US-10023590-B2 Substituted pyridine compounds having herbicidal activity BASF SE (DE) 2018-07-17 US disclosed
EP-3131906-B1 SUBSTITUTED PYRIDINE COMPOUNDS HAVING HERBICIDAL ACTIVITY BASF SE (DE) 2018-06-13 EP disclosed
US-20170121343-A1 Substituted Pyridine Compounds Having Herbicidal Activity BASF SE (DE) 2017-05-04 US disclosed
US-20170121343-A1 Substituted Pyridine Compounds Having Herbicidal Activity BASF SE (DE) 2017-05-04 US disclosed
US-20170121343-A1 Substituted Pyridine Compounds Having Herbicidal Activity BASF SE (DE) 2017-05-04 US disclosed
WO-2015158565-A1 SUBSTITUTED PYRIDINE COMPOUNDS HAVING HERBICIDAL ACTIVITY BASF SE (DE) 2015-10-22 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 (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-10023590-B2 Substituted pyridine compounds having herbicidal activity DDT, PNPO, CYP4X1 KMT2A 1337/4885CYP19A1 252/4885PTK2 4346/4885
US-20170121343-A1 Substituted Pyridine Compounds Having Herbicidal Activity DDT, PNPO, CYP4X1 KMT2A 1337/4885CYP19A1 252/4885PTK2 4346/4885

“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.