SCHEMBL13455184

SCHEMBL13455184

O=C(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA2 P00918 18/20 0.55
CA1 P00915 17/20 0.55
MMP1 P03956 6/20 0.55
MMP2 P08253 6/20 0.55
MMP9 P14780 6/20 0.55
MMP8 P22894 6/20 0.55
MMP13 P45452 6/20 0.55
THRB P10828 1/20 0.40
F2 P00734 1/20 0.37
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 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
SCHEMBL1618140 0.90 CA1 (0.47) CA2CA1MMP1MMP2MMP9
SCHEMBL1618321 0.88 CA1 (0.43) CA2CA1MMP1MMP2MMP9
SCHEMBL16594047 0.86 CA2 (0.57) CA2CA1MMP1MMP2MMP9
SCHEMBL1618706 0.86 CA2 (0.47) CA2CA1MMP1MMP2MMP9
SCHEMBL27241359 0.84 CA2 (0.55) CA2CA1MMP1MMP2MMP9
SCHEMBL27241367 0.84 CA1 (0.41) CA2CA1MMP1MMP2MMP9
SCHEMBL1618550 0.79 CA1 (0.41) CA2CA1MMP1MMP2MMP9
SCHEMBL1618620 0.79 CA2 (0.48) CA2CA1MMP1MMP2MMP9
SCHEMBL8392999 0.79 CA2 (0.59) CA2CA1MMP1MMP2MMP9
SCHEMBL7174847 0.79 THRB (0.43) CA2CA1MMP1MMP2MMP9

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-7678941-B2 Polyoxyalkylene ammonium salts and their use as antistatic agents 3M INNOVATIVE PROPERTIES COMPANY (US) 2010-03-16 US disclosed
US-20080039654-A1 POLYOXYALKYLENE AMMONIUM SALTS AND THEIR USE AS ANTISTATIC AGENTS 3M INNOVATIVE PROPERTIES COMPANY 2008-02-14 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-20080039654-A1 POLYOXYALKYLENE AMMONIUM SALTS AND THEIR USE AS ANTISTATIC AGENTS ALKBH5, ALKBH2, ALKBH3 CA2 22/4885CA1 221/4885MMP1 652/4885

“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.