Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL438004

CC(C)c1nc([C@H]2CC[C@H](C(=O)NCCN)CC2)no1.O=C(O)C(F)(F)F

nearest known ligand 0.37

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
HCRTR1 O43613 3/20 0.35
HCRTR2 O43614 3/20 0.35
HSP90AB1 P08238 3/20 0.34
CNR2 P34972 1/20 0.32
FABP4 P15090 3/20 0.32
FABP5 Q01469 3/20 0.32
CCR5 P51681 1/20 0.32
SMYD3 Q9H7B4 1/20 0.31
IDH1 O75874 1/20 0.31
NR1H4 Q96RI1 2/20 0.31
DGAT1 O75907 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
HDAC5 Q9UQL6 1/20 0.31
HTR1A P08908 1/20 0.30
DRD2 P14416 1/20 0.30
DRD4 P21917 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
SCHEMBL440762 0.93 MTNR1A (0.41) MTNR1AMTNR1BHCRTR1HCRTR2CCR5
SCHEMBL440763 0.93 MTNR1A (0.41) MTNR1AMTNR1BHCRTR1HCRTR2CCR5
SCHEMBL443067 0.78 KMT2A (0.39) MTNR1AMTNR1BHCRTR1HCRTR2
SCHEMBL443068 0.78 KMT2A (0.39) MTNR1AMTNR1BHCRTR1HCRTR2
SCHEMBL2596218 0.78 HCRTR1 (0.41) MTNR1AMTNR1BHCRTR1HCRTR2FABP4
SCHEMBL438005 0.76 DGAT1 (0.33) HCRTR1HCRTR2NR1H4DGAT1
SCHEMBL408844 0.75 HCRTR1 (0.44) HCRTR1HCRTR2FABP4FABP5IDH1
Trifluoroacetic Acid SCHEMBL5561399 0.74 HCRTR1 (0.38) HCRTR1HCRTR2FABP4FABP5IDH1
SCHEMBL440437 0.73 DGAT1 (0.49) HCRTR1HCRTR2DGAT1
SCHEMBL440436 0.73 DGAT1 (0.49) HCRTR1HCRTR2DGAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120065196-A1 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-15 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-20120065196-A1 AMIDE COMPOUNDS DGAT2, DGAT1, DLAT MTNR1A 1862/4885MTNR1B 1684/4885HCRTR1 1535/4885

“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.