SCHEMBL6116992

SCHEMBL6116992

CCCCCCC(C)C(=O)N(CC)CC

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.53
ACE2 Q9BYF1 1/20 0.48
FFAR1 O14842 2/20 0.44
FFAR4 Q5NUL3 1/20 0.44
GPR84 Q9NQS5 6/20 0.44
FDPS P14324 3/20 0.44
MAPT P10636 1/20 0.42
LCK P06239 1/20 0.42
PPARD Q03181 1/20 0.42
ZDHHC20 Q5W0Z9 1/20 0.42
ZDHHC2 Q9UIJ5 1/20 0.42
CA2 P00918 1/20 0.41

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
SCHEMBL6116835 1.00 CA1 (0.53) CA1ACE2FFAR1FFAR4GPR84
SCHEMBL6116801 0.92 CA1 (0.47) CA1ACE2FFAR4FDPSCA2
SCHEMBL16221457 0.86 CA1 (0.52) CA1ACE2FFAR1FFAR4GPR84
SCHEMBL20841091 0.86 CA1 (0.52) CA1ACE2FFAR1FFAR4GPR84
SCHEMBL14336226 0.86 CA1 (0.44) CA1ACE2FFAR1FFAR4GPR84
SCHEMBL6115857 0.83 CHRM1 (0.42) CA1FDPS
SCHEMBL6117872 0.82 CA1 (0.55) CA1ACE2FFAR1FFAR4GPR84
SCHEMBL11013967 0.82 CA2 (0.52) ACE2FFAR1FFAR4GPR84MAPT
SCHEMBL6117421 0.82 CA1 (0.55) CA1ACE2FFAR1FFAR4GPR84
SCHEMBL21730422 0.82 CA2 (0.52) ACE2FFAR1FFAR4GPR84MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2460802-B1 TRIFLUOROMETHYLTHIOPHENIUM DERIVATIVE SALTS, PROCESS FOR PRODUCTION THEREOF, AND PROCESS FOR PRODUCTION OF TRIFLUOROMETHYL-CONTAINING COMPOUNDS USING SAME NAGOYA INST TECHNOLOGY (JP) 2014-09-03 EP disclosed
US-8703969-B2 Trifluoromethylthiophenium derivative salt, method for producing the same, and method for producing trifluoromethyl-containing compounds using the same NAGOYA INSTITUTE OF TECHNOLOGY (JP) 2014-04-22 US disclosed
EP-2460802-A1 TRIFLUOROMETHYLTHIOPHENIUM DERIVATIVE SALTS, PROCESS FOR PRODUCITON THEREOF, AND PROCESS FOR PRODUCTION OF TRIFLUOROMETHYL-CONTAINING COMPOUNDS USING SAME Nagoya Institute of Technology (JP) 2012-06-06 EP disclosed
US-20120130090-A1 TRIFLUOROMETHYLTHIOPHENIUM DERIVATIVE SALT, METHOD FOR PRODUCING THE SAME, AND METHOD FOR PRODUCING TRIFLUOROMETHYL-CONTAINING COMPOUNDS USING THE SAME TOSOH F-TECH, INC. (JP) 2012-05-24 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-20120130090-A1 TRIFLUOROMETHYLTHIOPHENIUM DERIVATIVE SALT, METHOD FOR PRODUCING THE SAME, AND METHOD FOR PRODUCING TRIFLUOROMETHYL-CONTAINING COMPOUNDS USING THE SAME TST, CBR3, CYP4B1 CA1 2555/4885ACE2 1191/4885FFAR1 2584/4885

“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.