SCHEMBL2467798

SCHEMBL2467798

Nc1c(F)c(C(=O)O)nc(-c2ccc(C(F)(F)F)cc2)c1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 2/20 0.50
IKBKB O14920 1/20 0.44
MKNK1 Q9BUB5 1/20 0.43
MKNK2 Q9HBH9 1/20 0.43
DHODH Q02127 4/20 0.43
KIF11 P52732 2/20 0.41
MAP4K4 O95819 1/20 0.40
PTPN1 P18031 1/20 0.40
SLC9A5 Q14940 1/20 0.40
DPP4 P27487 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MAPK1 P28482 2/20 0.39
MAP2K4 P45985 2/20 0.39
MAPK6 Q16659 2/20 0.39
MAPKAPK3 Q16644 1/20 0.39
MAPKAPK5 Q8IW41 1/20 0.39
SRD5A2 P31213 1/20 0.38

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
SCHEMBL14462615 0.85 PLAU (0.45) PLAUIKBKBDHODHKIF11MAP4K4
SCHEMBL2471294 0.85 PLAU (0.47) PLAUIKBKBMKNK1MKNK2DHODH
SCHEMBL2465154 0.82 KDM4E (0.42) IKBKBDHODHSLC9A5KDM4EALDH1A1
SCHEMBL2467800 0.81 PLAU (0.42) PLAUIKBKBMKNK1MKNK2DHODH
SCHEMBL28032121 0.80 DGAT1 (0.36) PLAUDHODHDPP4
SCHEMBL2468818 0.79 PLAU (0.49) PLAUIKBKBMKNK1MKNK2DHODH
SCHEMBL14462601 0.77 PLAU (0.44) PLAUIKBKBDHODHKIF11PTPN1
SCHEMBL6165242 0.76 ALOX5AP (0.46) PLAUIKBKBMKNK1MKNK2DHODH
SCHEMBL2469146 0.74 TDP1 (0.47) DHODHMAP4K4KDM4EALDH1A1HPGD
SCHEMBL24987817 0.72 DHODH (0.47) PLAUDHODHALDH1A1HPGDMAPK1

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
CN-105028414-A HERBICIDE-SAFENER COMBINATION BAYER IP GMBH 2015-11-11 CN disclosed
EP-2939540-A1 HERBICIDE SAFENER COMBINATION Bayer Intellectual Property GmbH (DE) 2015-11-04 EP disclosed
EP-2939541-A1 HERBICIDE SAFENER COMBINATION Bayer Intellectual Property GmbH (DE) 2015-11-04 EP disclosed
US-8962523-B2 Herbicide/safener combination BAYER CROPSCIENCE AG (DE) 2015-02-24 US disclosed
US-20150051074-A1 HERBICIDE/SAFENER COMBINATION BAYER CROPSCIENCE AG (DE) 2015-02-19 US disclosed
EP-2369929-A2 HERBICIDE-SAFENER COMBINATION Bayer CropScience AG (DE) 2011-10-05 EP disclosed
WO-2010060581-A2 HERBICIDE-SAFENER COMBINATION BAYER CROPSCIENCE AG (DE) 2010-06-03 WO disclosed
US-20100137137-A1 HERBICIDE/SAFENER COMBINATION BAYER CROPSCIENCE AG (DE) 2010-06-03 US disclosed
EP-2191719-A1 Herbicide safener combination Bayer CropScience AG (DE) 2010-06-02 EP 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-20100137137-A1 HERBICIDE/SAFENER COMBINATION DDT, CYP2W1, GAP43 PLAU 4823/4885IKBKB 4685/4885MKNK1 4443/4885
US-20150051074-A1 HERBICIDE/SAFENER COMBINATION DDT, CYP2W1, GAP43 PLAU 4823/4885IKBKB 4685/4885MKNK1 4443/4885

“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.