SCHEMBL4908607

SCHEMBL4908607

COC(=O)c1cc(Cl)c(C(F)(F)C(F)(F)C(F)(F)F)[nH]c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.40
GAA P10253 2/20 0.40
GLA P06280 1/20 0.40
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
MAPT P10636 3/20 0.36
CFTR P13569 1/20 0.34
SOS1 Q07889 1/20 0.34
SERPINH1 P50454 1/20 0.34
PDK2 Q15119 5/20 0.34
PDK1 Q15118 3/20 0.34
PDK3 Q15120 3/20 0.34
PDK4 Q16654 3/20 0.34
ABL1 P00519 1/20 0.33
HTT P42858 1/20 0.33
ALDH1A1 P00352 2/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CHEK1 O14757 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL17782172 0.85 GAA (0.43) KDM4EGAAGLAPDE3BPDE3A
SCHEMBL3092320 0.83 KDM4E (0.39) KDM4EGAAALDH1A1HPGDSMN1; SMN2
SCHEMBL3081585 0.78 HSP90AA1 (0.35) KDM4EMAPTALDH1A1
SCHEMBL3092324 0.74
SCHEMBL17782170 0.74 HSD17B1 (0.41) KDM4EGAAGLAPDE3BPDE3A
SCHEMBL3075472 0.73 KDM4E (0.54) KDM4EGAAGLAMAPTCFTR
SCHEMBL31185924 0.73 PDE3B (0.53) KDM4EGAAGLAPDE3BPDE3A
SCHEMBL17782171 0.73 HSD17B1 (0.55) KDM4EGAAGLAPDE3BPDE3A
SCHEMBL4898556 0.72 CFTR (0.46) KDM4EGAAGLAPDE3BPDE3A
SCHEMBL4906582 0.72 SOS1 (0.44) KDM4EGAAGLAPDE3BPDE3A

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-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
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
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 740/4885GAA 3433/4885GLA 1905/4885
US-20080269059-A1 PYRIDINECARBOXAMIDES, USEFUL-PLANT-PROTECTING COMPOSITION COMPRISING THEM AND PROCESSES FOR THEIR PREPARTION AND THEIR USE CYC1, PYCR1, CBR3 KDM4E 826/4885GAA 3296/4885GLA 2012/4885

“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.