SCHEMBL420919

SCHEMBL420919

NC(=O)COS(=O)(=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F2 P00734 4/20 0.33
PRSS1 P07477 4/20 0.33
PRSS2 P07478 4/20 0.33
PRSS3 P35030 4/20 0.33
CA2 P00918 2/20 0.33
CA1 P00915 1/20 0.30

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
SCHEMBL4323239 0.80
SCHEMBL2057905 0.77 CA2 (0.31) CA2CA1
SCHEMBL2057200 0.77 CA2 (0.31) CA2CA1
SCHEMBL2057675 0.77 CA2 (0.31) CA2
SCHEMBL2057646 0.77 CA2 (0.31) CA2CA1
SCHEMBL2057808 0.77 CA2 (0.31) CA2CA1
SCHEMBL8848680 0.76 CA2 (0.34) CA2CA1
SCHEMBL2057253 0.75
SCHEMBL2058048 0.75 CA1 (0.31) CA2CA1
SCHEMBL2057558 0.75

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-20120022267-A1 FLUOROALKYL SILANES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2012-01-26 US disclosed
US-20120022266-A1 FLUOROALKYL SILANES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2012-01-26 US disclosed
US-8058463-B2 Fluorosilanes E. I. DU PONT DE NEMOURS AND COMPNAY (US) 2011-11-15 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-20120022267-A1 FLUOROALKYL SILANES QSOX1, FRG1, CYP2F1 F2 6/4885PRSS1 1073/4885PRSS2 839/4885
US-20120022266-A1 FLUOROALKYL SILANES AFF1, FRG1, PFN1 F2 15/4885PRSS1 178/4885PRSS2 281/4885

“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.