Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2073584

O=C(O)C(F)(F)F.c1ccc2cc(-c3cnc[nH]3)ccc2c1

nearest known ligand 0.73

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.73
CYP11B2 P19099 1/20 0.73
IDO1 P14902 4/20 0.49
CYP3A4 P08684 1/20 0.49
LTA4H P09960 1/20 0.48
SCN9A Q15858 1/20 0.47
CA12 O43570 1/20 0.44
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HPGDS O60760 1/20 0.42
NLN Q9BYT8 2/20 0.42
SLC22A12 Q96S37 1/20 0.42
CCNC P24863 1/20 0.41
CDK8 P49336 1/20 0.41
PTGER3 P43115 1/20 0.41
FTO Q9C0B1 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
HRH4 Q9H3N8 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40

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
SCHEMBL2369049 0.85 CYP11B1 (1.00) CYP11B1CYP11B2IDO1CYP3A4LTA4H
Trifluoroacetic Acid SCHEMBL2074049 0.84 IDO1 (0.70) CYP11B1CYP11B2IDO1CYP3A4LTA4H
SCHEMBL26265591 0.79 CYP11B1 (0.85) CYP11B1CYP11B2IDO1CYP3A4LTA4H
Trifluoroacetic Acid SCHEMBL28162943 0.78 HRH4 (0.49) CYP11B1CYP11B2IDO1CYP3A4LTA4H
SCHEMBL26260218 0.77 CYP11B1 (0.82) CYP11B1CYP11B2IDO1CYP3A4LTA4H
SCHEMBL20054668 0.74 CYP11B1 (0.77) CYP11B1CYP11B2IDO1CYP3A4LTA4H
SCHEMBL19397348 0.71 CYP11B1 (0.66) CYP11B1CYP11B2IDO1CYP3A4LTA4H
SCHEMBL12647442 0.70 CYP11B1 (0.70) CYP11B1CYP11B2IDO1CYP3A4LTA4H
SCHEMBL12647751 0.70 CYP11B1 (0.70) CYP11B1CYP11B2IDO1CYP3A4LTA4H
Anthracene SCHEMBL1558998 0.70 CES1 (0.50) IDO1POLBL3MBTL1

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-7863294-B2 Heterocycle derivatives as histone deacetylase (HDAC) inhibitors INSTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2011-01-04 US disclosed
US-20090048228-A1 Heterocycle Derivatives As Histone Deacetylase (Hdac) Inhibitors MSD ITALIA S.R.L. (IT) 2009-02-19 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-20090048228-A1 Heterocycle Derivatives As Histone Deacetylase (Hdac) Inhibitors HDAC1, HDAC5, HDAC11 CYP11B1 567/4885CYP11B2 979/4885IDO1 2451/4885

“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.