SCHEMBL3075472

SCHEMBL3075472

COC(=O)c1ccc(C(F)(F)C(F)(F)C(F)(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 0.43
CFTR P13569 1/20 0.39
MAPT P10636 1/20 0.39
HSD17B1 P14061 4/20 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
SCHEMBL4901202 0.85 KDM4E (0.54) KDM4EGLAGAAHSD17B2CFTR
SCHEMBL3056728 0.84 KDM4E (0.60) KDM4EGLAGAAHSD17B2HSD17B1
SCHEMBL4904432 0.82 KDM4E (0.57) KDM4EGLAGAAHSD17B2CFTR
SCHEMBL10749314 0.80 KDM4E (0.62) KDM4EGLAGAAHSD17B2MAPT
SCHEMBL4898591 0.79 KDM4E (0.54) KDM4EGLAGAAHSD17B2CFTR
SCHEMBL3089511 0.77 HSD17B2 (0.37) KDM4EGLAGAAHSD17B2MAPT
SCHEMBL3084185 0.77 HSD17B1 (0.47) HSD17B2HSD17B1
SCHEMBL4899931 0.75 ALDH1A1 (0.50) KDM4EGLAGAAMAPT
SCHEMBL4908607 0.73 KDM4E (0.40) KDM4EGLAGAACFTRMAPT
SCHEMBL3083394 0.72 ELANE (0.30)

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 7 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
EP-2144879-B1 PYRIDON CARBOXAMIDES, AGENTS CONTAINING THESE BUT NOT IMPACTING USEFUL PLANTS AND METHOD FOR THEIR MANUFACTURE AND APPLICATION BAYER IP GMBH (DE) 2015-04-08 EP 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
EP-2144879-A2 PYRIDONECARBOXAMIDES CROP PROTECTION AGENTS CONTAINING THE SAME METHOD FOR PRODUCTION AND USE THEREOF Bayer CropScience AG (DE) 2010-01-20 EP disclosed
WO-2008131860-A2 PYRIDONECARBOXAMIDES CROP PROTECTION AGENTS CONTAINING THE SAME METHOD FOR PRODUCTION AND USE THEREOF BAYER CROPSCIENCE AG (DE) 2008-11-06 WO disclosed
EP-1987717-A1 Pyridon carboxamides, agents containing these but not impacting useful plants and method for their manufacture and application Bayer CropScience AG (DE) 2008-11-05 EP 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.