Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1065670

O=C(O)C(F)(F)F.O=C(O)c1ccc(NCCN2CCCCC2)cc1

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.50
CACNA1B Q00975 2/20 0.49
ESRRG P62508 2/20 0.49
ESR1 P03372 1/20 0.47
ESR2 Q92731 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
POLB P06746 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CSNK2A1 P68400 1/20 0.43
TNIK Q9UKE5 1/20 0.43
ALDH1A1 P00352 4/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42
CNR1 P21554 1/20 0.42

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
SCHEMBL1068474 0.93 ESRRG (0.54) EPHX2ESRRGESR1ESR2MEN1
SCHEMBL5350540 0.92 ESRRG (0.52) EPHX2ESRRGESR1ESR2MEN1
SCHEMBL1065672 0.81 EPHX2 (0.47) EPHX2ESRRGESR1ESR2MEN1
SCHEMBL30969317 0.80 TNIK (0.51) EPHX2ESRRGESR1ESR2MEN1
SCHEMBL4844468 0.79 EPHX2 (0.56) EPHX2CSNK2A1ALDH1A1HPGDCNR1
SCHEMBL6154983 0.79 TNIK (0.49) EPHX2ESRRGESR1ESR2MEN1
SCHEMBL12465126 0.76 CSNK2A1 (0.47) EPHX2MEN1KMT2APOLBCYP1A2
SCHEMBL8291394 0.76 NPSR1 (0.51) EPHX2ESRRGESR1ESR2MEN1
SCHEMBL16302947 0.75 PPARA (0.49) EPHX2MEN1KMT2APOLBCYP1A2
SCHEMBL5068134 0.75 NPSR1 (0.49) EPHX2ESRRGESR1ESR2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7868205-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2011-01-11 US disclosed
US-20080132459-A1 Inhibitors of Histone Deacetylase METHYLGENE, INC. (CA) 2008-06-05 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-20080132459-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC3 EPHX2 3029/4885CACNA1B 4376/4885ESRRG 2943/4885

“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.