SCHEMBL3945657

SCHEMBL3945657

O=C(OC(=O)C(F)(F)F)C(F)(F)F.[Ar]

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CA2 P00918 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
SCHEMBL3945654 1.00 CA2 (0.33) CA2
SCHEMBL52 0.96 CA2 (0.35) CA2
SCHEMBL27623481 0.96 CA2 (0.35) CA2
SCHEMBL2171749 0.93 CA2 (0.33) CA2
Hydrogen Peroxide SCHEMBL2051538 0.93 CA2 (0.33) CA2
SCHEMBL11001716 0.93 CA2 (0.33) CA2
SCHEMBL20135729 0.93 CA2 (0.33) CA2
Hydrochloric Acid SCHEMBL8958370 0.93 CA2 (0.33) CA2
Water SCHEMBL6513542 0.93 CA2 (0.33) CA2
SCHEMBL28259522 0.93 CA2 (0.33) CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090099169-A1 Benzofuran Compounds As EP1 Receptor Antagonists GLAXO GROUP LIMITED (GB) 2009-04-16 US disclosed
WO-2009016227-A2 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-02-05 WO disclosed
EP-2001872-A1 BENZOFURAN COMPOUNDS AS EP1 RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2008-12-17 EP disclosed
WO-2007113289-A1 BENZOFURAN COMPOUNDS AS EP1 RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2007-10-11 WO disclosed
EP-0699203-A1 THIOMARINOL DERIVATIVES, PROCESS AND INTERMEDIATES FOR THEIR PREPARATION AND THEIR USE AS MICROBICIDES AND HERBICIDES SMITHKLINE BEECHAM PLC (GB) 1996-03-06 EP disclosed
WO-1994028001-A1 THIOMARINOL DERIVATIVES, PROCESS AND INTERMEDIATES FOR THEIR PREPARATION AND THEIR USE AS MICROBICIDES AND HERBICIDES SMITHKLINE BEECHAM PLC (GB) 1994-12-08 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-20090099169-A1 Benzofuran Compounds As EP1 Receptor Antagonists PTGER1, PTGER2, PTGER3 CA2 4048/4885

“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.