Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL321237

NCCCC(=O)Nc1ccccc1.O=C(O)C(F)(F)F

nearest known ligand 0.66

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 14/20 0.66
HDAC1 Q13547 14/20 0.66
HDAC7 Q8WUI4 14/20 0.66
HDAC11 Q96DB2 14/20 0.66
HDAC8 Q9BY41 14/20 0.66
HDAC6 Q9UBN7 14/20 0.66
HDAC9 Q9UKV0 14/20 0.66
HDAC5 Q9UQL6 14/20 0.66
HDAC3 O15379 13/20 0.66
HDAC2 Q92769 13/20 0.66
HDAC10 Q969S8 13/20 0.66
NCOR1 O75376 2/20 0.66
LTA4H P09960 2/20 0.57
NCOR2 Q9Y618 2/20 0.56
CYP3A4 P08684 3/20 0.55
KCNH2 Q12809 2/20 0.55
KDM4E B2RXH2 1/20 0.55
BRD4 O60885 1/20 0.55
NR1I2 O75469 1/20 0.55
EGFR P00533 1/20 0.55

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
SCHEMBL7539554 0.90 LTA4H (0.66) HDAC4HDAC1HDAC7HDAC11HDAC8
Trifluoroacetic Acid SCHEMBL3202548 0.88 HDAC4 (0.66) HDAC4HDAC1HDAC7HDAC11HDAC8
SCHEMBL13973103 0.85 HDAC6 (0.69) HDAC4HDAC1HDAC7HDAC11HDAC8
SCHEMBL14135053 0.83 HDAC6 (0.72) HDAC4HDAC1HDAC7HDAC11HDAC8
SCHEMBL28608420 0.83 HDAC6 (0.72) HDAC4HDAC1HDAC7HDAC11HDAC8
SCHEMBL4837664 0.83 HDAC6 (0.72) HDAC4HDAC1HDAC7HDAC11HDAC8
Hydrochloric Acid SCHEMBL28515049 0.83 HDAC6 (0.67) HDAC4HDAC1HDAC7HDAC11HDAC8
SCHEMBL31203555 0.83 HDAC6 (0.72) HDAC4HDAC1HDAC7HDAC11HDAC8
Hydrochloric Acid SCHEMBL8750137 0.82 HDAC6 (0.70) HDAC4HDAC1HDAC7HDAC11HDAC8
Hydrochloric Acid SCHEMBL827279 0.82 HDAC6 (0.70) HDAC4HDAC1HDAC7HDAC11HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130261178-A1 PHENOXYPROPANOL DERIVATIVES AND THEIR USE IN TREATING CARDIAC AND CARDIOVASCULAR DISEASES MISTRY SHAILESH (GB) 2013-10-03 US disclosed
EP-2590937-A1 PHENOXYPROPANOL DERIVATIVES AND THEIR USE IN TREATING CARDIAC AND CARDIOVASCULAR DISEASES The University Of Nottingham (GB) 2013-05-15 EP disclosed
WO-2012004549-A1 PHENOXYPROPANOL DERIVATIVES AND THEIR USE IN TREATING CARDIAC AND CARDIOVASCULAR DISEASES THE UNIVERSITY OF NOTTINGHAM (GB) 2012-01-12 WO 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-20130261178-A1 PHENOXYPROPANOL DERIVATIVES AND THEIR USE IN TREATING CARDIAC AND CARDIOVASCULAR DISEASES NR3C2, NPR3, ADRB3 HDAC4 1531/4885HDAC1 1010/4885HDAC7 951/4885

“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.