SCHEMBL6449840

SCHEMBL6449840

FC(F)(F)c1cccnc1-n1nccc1-c1cc(Br)ccc1OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 14/20 0.44
CYP2C9 P11712 1/20 0.40
HSD11B1 P28845 2/20 0.40
CCR5 P51681 1/20 0.39
SLC6A4 P31645 1/20 0.38
ALDH1A1 P00352 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL6451994 0.87 PTGER1 (0.42) PTGER1HSD11B1
SCHEMBL6449875 0.82 PTGER1 (0.45) PTGER1CYP2C9HSD11B1CCR5ALDH1A1
SCHEMBL6450663 0.79 HSP90AA1 (0.38) HSD11B1
SCHEMBL30955958 0.72 PTGER1 (0.54) PTGER1CCR5SLC6A4ALDH1A1HTT
SCHEMBL3726426 0.72 PTGER1 (0.54) PTGER1CCR5SLC6A4ALDH1A1HTT
SCHEMBL17049367 0.70 CCR5 (0.56) PTGER1CYP2C9CCR5SLC6A4ALDH1A1
SCHEMBL26262216 0.69 PTGER1 (0.47) PTGER1CCR5SLC6A4ALDH1A1HTT
SCHEMBL30835001 0.69 CCR5 (0.55) PTGER1CYP2C9CCR5SLC6A4ALDH1A1
SCHEMBL28286296 0.69 CCR5 (0.55) PTGER1CYP2C9CCR5SLC6A4ALDH1A1
SCHEMBL6451311 0.69 SYK (0.40) HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050075375-A1 Heterocyclic compounds for treating hepatitis C virus ANADYS PHARMACEUTICALS, INC. (US) 2005-04-07 US disclosed
WO-2004110351-A2 HETEROCYCLIC COMPOUNDS FOR TREATING HEPATITIS C VIRUS ANADYS PHARMACEUTICALS, INC. (US) 2004-12-23 WO 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-20050075375-A1 Heterocyclic compounds for treating hepatitis C virus HAVCR2, HCCS, LIPC PTGER1 3096/4885CYP2C9 144/4885HSD11B1 357/4885

“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.