SCHEMBL6735879

SCHEMBL6735879

O=S(=O)(CC(F)(F)F)Nc1ccc(Oc2ccc(F)cc2F)cc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 10/20 0.51
HSPB1 P04792 1/20 0.46
PTPN1 P18031 1/20 0.42
AR P10275 1/20 0.41
EPAS1 Q99814 1/20 0.41
CYP17A1 P05093 1/20 0.41
PNLIP P16233 1/20 0.40
SCN9A Q15858 1/20 0.40
PGR P06401 1/20 0.40
FFAR1 O14842 1/20 0.39
FFAR4 Q5NUL3 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
SCHEMBL6730613 0.85 BRD4 (0.54) BRD4HSPB1
SCHEMBL29548873 0.77 BRD4 (0.58) BRD4CYP17A1
SCHEMBL28720346 0.77 BRD4 (0.58) BRD4CYP17A1
SCHEMBL29548631 0.76 BRD4 (0.56) BRD4
SCHEMBL3210448 0.73 BRD4 (0.44) BRD4CYP17A1
SCHEMBL16651036 0.71 BRD4 (0.48) BRD4
SCHEMBL3198482 0.71 CYP17A1 (0.48) BRD4CYP17A1
SCHEMBL16868381 0.70 BRD4 (0.58) BRD4
SCHEMBL16660689 0.70 BRD4 (0.59) BRD4
SCHEMBL16658392 0.70 BRD4 (0.55) BRD4

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-6800651-B2 Potentiators of glutamate receptors ELI LILLY AND COMPANY 2004-10-05 US disclosed
US-20040006114-A1 Potentiators of glutamate receptors ELI LILLY AND COMPANY 2004-01-08 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-20040006114-A1 Potentiators of glutamate receptors GRM1, GRIN1, GRM2 BRD4 3241/4885HSPB1 3201/4885PTPN1 1705/4885

“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.