SCHEMBL3220255

SCHEMBL3220255

COc1ccccc1C(=O)NS(=O)(=O)c1ccc(C(=O)NC2CC2)cc1.COc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(F)(F)F)nc(C(F)(F)F)n1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
MAPK1 P28482 1/20 0.38
PTK2 Q05397 6/20 0.37
GAA P10253 1/20 0.37
KCNA3 P22001 1/20 0.36
LRRK2 Q5S007 1/20 0.36
THRB P10828 1/20 0.36
RXFP1 Q9HBX9 1/20 0.35
ALKBH2 Q6NS38 1/20 0.35
ALKBH3 Q96Q83 1/20 0.35
FTO Q9C0B1 1/20 0.35

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
Chlorsulfuron SCHEMBL3226526 0.82 ALDH1A1 (0.44) KDM4EGAATHRB
Prosulfuron SCHEMBL3230152 0.82 TTK (0.37) GAATHRBRXFP1
Logran SCHEMBL3228284 0.80 THRB (0.38) KDM4EKCNA3THRBRXFP1
Flazasulfuron SCHEMBL3221138 0.80 GAA (0.47) KDM4EMAPK1PTK2GAATHRB
SCHEMBL29508588 0.80 MAPT (0.45) KDM4EGAARXFP1ALKBH2ALKBH3
SCHEMBL53993 0.80 MAPT (0.45) KDM4EGAARXFP1ALKBH2ALKBH3
SCHEMBL30116869 0.80 MAPT (0.45) KDM4EGAARXFP1ALKBH2ALKBH3
SCHEMBL6829101 0.79 MAPT (0.44) KDM4EGAARXFP1ALKBH2ALKBH3
Sulfometuron SCHEMBL3226563 0.79 THRB (0.50) GAAKCNA3THRBRXFP1
SCHEMBL3232658 0.78 KCNA3 (0.37) KDM4EPTK2GAAKCNA3THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100234227-A1 MICROEMULSION CONCENTRATES BAYER CROPSCIENCE AG (DE) 2010-09-16 US disclosed
US-20100048516-A1 PENETRATION ENHANCER FOR FUNGICIDES BAYER CROPSCIENCE AG (DE) 2010-02-25 US disclosed
US-20080176746-A1 avoids antagonistically reduced activity or overdosage otherwise requiring split applications; by employing an oil suspension concentrate BAYER CROPSCIENCE AG (DE) 2008-07-24 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 (3 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-20100048516-A1 PENETRATION ENHANCER FOR FUNGICIDES DDT, DCPS, TYMP KDM4E 869/4885MAPK1 2200/4885PTK2 4456/4885
US-20080176746-A1 avoids antagonistically reduced activity or overdosage otherwise requiring split applications; by employing an oil suspension concentrate LIPA, MGLL, ABHD6 KDM4E 3886/4885MAPK1 4275/4885PTK2 3631/4885
US-20100234227-A1 MICROEMULSION CONCENTRATES ADH1C, MGLL, ADH1A KDM4E 3160/4885MAPK1 3638/4885PTK2 4480/4885

“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.