SCHEMBL178353

SCHEMBL178353

CC(C)(C)OC(=O)CC(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.34
CYP2D6 P10635 1/20 0.34
MTNR1A P48039 3/20 0.33
MTNR1B P49286 3/20 0.33
MLYCD O95822 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
CA14 Q9ULX7 2/20 0.33
CA2 P00918 2/20 0.32
CA12 O43570 1/20 0.32
APLNR P35414 1/20 0.32
AAK1 Q2M2I8 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
CA1 P00915 1/20 0.31
CA7 P43166 1/20 0.31
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
SCHEMBL15299829 0.79 HTT (0.32) HTT
SCHEMBL4553890 0.79 DGAT1 (0.37) DGAT1CYP2D6MTNR1AMTNR1BHDAC3
SCHEMBL27560459 0.78 FFAR1 (0.39) CA14CA2CA12AAK1TDP1
SCHEMBL10339935 0.77 PIK3CD (0.40) DGAT1CYP2D6MTNR1AMTNR1BHDAC3
SCHEMBL10339934 0.77 DGAT1 (0.36) DGAT1CYP2D6MTNR1AMTNR1BHDAC3
SCHEMBL10939959 0.77 HMGCR (0.48) DGAT1CYP2D6MTNR1AMTNR1BHDAC3
SCHEMBL12693593 0.76 AAK1 (0.36) DGAT1CYP2D6MTNR1AMTNR1BMLYCD
SCHEMBL27718963 0.76 CYP2D6 (0.32) CYP2D6AAK1
SCHEMBL31238586 0.75 HDAC3 (0.37) DGAT1CYP2D6MTNR1AMTNR1BHDAC3
SCHEMBL7826803 0.75 DGAT1 (0.34) DGAT1CYP2D6MTNR1AMTNR1BHDAC3

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 7 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
US-20120058427-A1 PATTERN FORMING METHOD, CHEMICAL AMPLIFICATION RESIST COMPOSITION AND RESIST FILM FUJIFILM CORPORATION (JP) 2012-03-08 US disclosed
US-7202011-B2 Photosensitive polymer including fluorine and resist composition containing the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2007-04-10 US disclosed
US-20030228537-A1 Photosensitive polymer including fluorine and resist composition containing the same SAMSUNG ELECTRONICS CO.; LTD. (KR) 2003-12-11 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 DGAT1 4401/4885CYP2D6 373/4885MTNR1A 3716/4885

“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.