SCHEMBL6805799

SCHEMBL6805799

COC(=O)c1ccc(C(F)(F)F)cc1CN1CCSC1=NC#N

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 13/20 0.41
PDE4D Q08499 5/20 0.41
CFTR P13569 1/20 0.41
MEN1 O00255 1/20 0.39
CHRNA7 P36544 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
KDM4E B2RXH2 1/20 0.35
DHODH Q02127 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.34

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
SCHEMBL6805796 1.00 PDE4B (0.41) PDE4BPDE4DCFTRMEN1CHRNA7
SCHEMBL6804586 0.88 MEN1 (0.42) PDE4BPDE4DMEN1CHRNA7KMT2A
SCHEMBL6804582 0.88 MEN1 (0.42) PDE4BPDE4DMEN1CHRNA7KMT2A
SCHEMBL6803018 0.75 MEN1 (0.46) PDE4BPDE4DMEN1CHRNA7KMT2A
SCHEMBL25085889 0.70 CFTR (0.65) CFTRMEN1KMT2AKDM4EMRGPRX4
SCHEMBL5841660 0.68 CFTR (0.61) CFTRMEN1KMT2AKDM4EMRGPRX4
SCHEMBL5833870 0.68 CFTR (0.61) CFTRMEN1KMT2AKDM4EMRGPRX4
SCHEMBL27454008 0.66 CFTR (0.58) CFTRMEN1KMT2AKDM4EMRGPRX4
SCHEMBL5833100 0.66 CFTR (0.58) CFTRMEN1KMT2AKDM4EMRGPRX4
SCHEMBL10894672 0.65 PDE4B (0.67) PDE4BPDE4DMEN1CHRNA7KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040097376-A1 Substituted aryl ketones and their use as herbicides BAYER CROPSCIENCE AG (DE) 2004-05-20 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 (1 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-20040097376-A1 Substituted aryl ketones and their use as herbicides DDT, CYP1A1, CYP1B1 PDE4B 3542/4885PDE4D 3565/4885CFTR 2326/4885

“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.