SCHEMBL6116244

SCHEMBL6116244

CCN(CC)C(=O)C(C)(C)C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 4/20 0.37
LMNA P02545 2/20 0.36
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
MMP8 P22894 1/20 0.34
DPP4 P27487 1/20 0.32
RECQL P46063 1/20 0.32
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA9 Q16790 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
HSP90AA1 P07900 2/20 0.30
HSP90AB1 P08238 2/20 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
SCHEMBL13811959 0.80 LMNA (0.39) MLYCDLMNAMMP1MMP2MMP3
SCHEMBL21235948 0.80 MLYCD (0.39) MLYCDLMNAMMP1MMP2MMP3
SCHEMBL20115678 0.78 MLYCD (0.41) MLYCDLMNAMMP1MMP2MMP3
SCHEMBL28418104 0.78 MLYCD (0.38) MLYCDLMNAMMP1MMP2MMP3
SCHEMBL6116484 0.77 MLYCD (0.35) MLYCDLMNAMMP1MMP2MMP3
SCHEMBL249531 0.77 MLYCD (0.45) MLYCDLMNAMMP1MMP2MMP3
SCHEMBL6118077 0.76 MLYCD (0.34) MLYCDLMNAMMP1MMP2MMP3
SCHEMBL20115500 0.74 MLYCD (0.36) MLYCDLMNAMMP1MMP2MMP3
SCHEMBL6116831 0.74 MLYCD (0.36) MLYCDLMNAMMP1MMP2MMP3
SCHEMBL6117026 0.74 MLYCD (0.33) MLYCDLMNAMMP1MMP2MMP3

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 MLYCD 3126/4885LMNA 4648/4885MMP1 4045/4885

“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.