SCHEMBL4898591

SCHEMBL4898591

COC(=O)c1ccc(C(F)(F)C(F)F)[nH]c1=O

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.54
GLA P06280 1/20 0.54
GAA P10253 1/20 0.54
HSD17B2 P37059 14/20 0.46
HSD17B1 P14061 4/20 0.41
CFTR P13569 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL3056728 0.84 KDM4E (0.60) KDM4EGLAGAAHSD17B2HSD17B1
SCHEMBL3088095 0.82 HSD17B2 (0.49) HSD17B2HSD17B1
SCHEMBL4904432 0.82 KDM4E (0.57) KDM4EGLAGAAHSD17B2HSD17B1
SCHEMBL10749314 0.80 KDM4E (0.62) KDM4EGLAGAAHSD17B2MAPT
SCHEMBL4901202 0.79 KDM4E (0.54) KDM4EGLAGAAHSD17B2HSD17B1
SCHEMBL3075472 0.79 KDM4E (0.54) KDM4EGLAGAAHSD17B2HSD17B1
SCHEMBL16612801 0.78 HSD17B2 (0.38) KDM4EGLAGAAHSD17B2HSD17B1
SCHEMBL4907563 0.76 HSD17B1 (0.44) HSD17B2HSD17B1
SCHEMBL4898553 0.75 KDM4E (0.60) KDM4EGLAGAAHSD17B2HSD17B1
SCHEMBL23629541 0.73 KDM4E (0.57) KDM4EGLAGAAHSD17B2CFTR

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
US-9102623-B2 Pyridinecarboxamides, useful-plant-protecting composition comprising them and processes for their preparation and their use BAYER CROPSCIENCE AG (DE) 2015-08-11 US disclosed
CN-101674727-B Pyridonecarboxamides crop protection agents containing the same method for production and use thereof BAYER CROPSCIENCE AG 2014-06-25 CN disclosed
US-20120252670-A1 PYRIDINECARBOXAMIDES, USEFUL-PLANT-PROTECTING COMPOSITION COMPRISING THEM AND PROCESSES FOR THEIR PREPARATION AND THEIR USE ZIEMER FRANK (DE) 2012-10-04 US disclosed
CN-101674727-A Pyridonecarboxamides crop protection agents containing the same method for production and use thereof BAYER CROPSCIENCE AG 2010-03-17 CN disclosed
US-20080269059-A1 PYRIDINECARBOXAMIDES, USEFUL-PLANT-PROTECTING COMPOSITION COMPRISING THEM AND PROCESSES FOR THEIR PREPARTION AND THEIR USE BAYER CROPSCIENCE AG (DE) 2008-10-30 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-20120252670-A1 PYRIDINECARBOXAMIDES, USEFUL-PLANT-PROTECTING COMPOSITION COMPRISING THEM AND PROCESSES FOR THEIR PREPARATION AND THEIR USE CYC1, CYCS, CBR3 KDM4E 740/4885GLA 1905/4885GAA 3433/4885
US-20080269059-A1 PYRIDINECARBOXAMIDES, USEFUL-PLANT-PROTECTING COMPOSITION COMPRISING THEM AND PROCESSES FOR THEIR PREPARTION AND THEIR USE CYC1, PYCR1, CBR3 KDM4E 826/4885GLA 2012/4885GAA 3296/4885

“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.