SCHEMBL10105199

SCHEMBL10105199

CN(C)CCCNS(=O)(=O)CCCCC(C(F)(F)F)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
HDAC4 P56524 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
ALOX15 P16050 1/20 0.35
ALDH1A1 P00352 3/20 0.35
KMT2A Q03164 1/20 0.33
RELA Q04206 4/20 0.33
GAA P10253 1/20 0.33
HTT P42858 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
SCHEMBL12318257 0.84 HDAC4 (0.32) CA12CA2CA9HDAC4HDAC6
SCHEMBL13859730 0.84 HDAC4 (0.31) CA12CA2CA9HDAC4HDAC6
SCHEMBL14615431 0.84 HDAC4 (0.31) CA12CA2CA9HDAC4HDAC6
SCHEMBL13859734 0.83 CA12 (0.33) CA12CA2CA9HDAC4HDAC6
SCHEMBL12270636 0.83 HDAC4 (0.32) CA12CA2CA9HDAC4HDAC6
SCHEMBL774368 0.82 CA12 (0.36) CA12CA2CA9HDAC4HDAC6
SCHEMBL772715 0.82 CA12 (0.38) CA12CA2CA9HDAC4HDAC6
SCHEMBL773837 0.80 CA12 (0.39) CA12CA2CA9HDAC4HDAC6
SCHEMBL775360 0.80 HDAC4 (0.33) CA12CA2CA9HDAC4HDAC6
SCHEMBL774346 0.79 CA12 (0.34) CA12CA2CA9HDAC4HDAC6

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-8318656-B2 Production processes and systems, compositions, surfactants, monomer units, metal complexes, phosphate esters, glycols, aqueous film forming foams, and foam stabilizers E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-11-27 US disclosed
US-20120071689-A1 PRODUCTION PROCESSES AND SYSTEMS, COMPOSITIONS, SURFACTANTS, MONOMER UNITS, METAL COMPLEXES, PHOSPHATE ESTERS, GLYCOLS, AQUEOUS FILM FORMING FOAMS, AND FOAM STABILIZERS E.I. DU PONT DE NEMOURS AND COMPANY CHEMTURA CORPORATION (US) 2012-03-22 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-20120071689-A1 PRODUCTION PROCESSES AND SYSTEMS, COMPOSITIONS, SURFACTANTS, MONOMER UNITS, METAL COMPLEXES, PHOSPHATE ESTERS, GLYCOLS, AQUEOUS FILM FORMING FOAMS, AND FOAM STABILIZERS FOS, AFF4, AFF1 CA12 2399/4885CA2 1820/4885CA9 3510/4885

“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.