Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3048936

CC1(C)CCC(CNCc2ccc(-c3ccc4[nH]cnc4c3)cc2)CC1.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
HDAC1 Q13547 3/20 0.37
TEK Q02763 4/20 0.35
EPHB4 P54760 2/20 0.35
HTR5A P47898 4/20 0.34
SLC2A1 P11166 3/20 0.34
HTR1A P08908 1/20 0.34
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
HTR1D P28221 1/20 0.34
HTR1B P28222 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR7 P34969 1/20 0.34
ADRA1B P35368 1/20 0.34
DRD3 P35462 1/20 0.34
HTR2B P41595 1/20 0.34
HTR6 P50406 1/20 0.34
KDR P35968 2/20 0.34
GSK3B P49841 1/20 0.34
DYRK1A Q13627 1/20 0.34

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
Trifluoroacetic Acid SCHEMBL3050294 0.89 HDAC6 (0.42) HDAC1HTR5ASLC2A1HTR1ADRD2
Trifluoroacetic Acid SCHEMBL3041840 0.88 CCR2 (0.38) HDAC1TEKEPHB4HTR5ASLC2A1
SCHEMBL13136976 0.83 QPCT (0.44)
Trifluoroacetic Acid SCHEMBL3046203 0.81 HTR5A (0.46) HTR5ASLC2A1HTR1ADRD2DRD4
Trifluoroacetic Acid SCHEMBL3046770 0.81 CCR2 (0.38) HDAC1TEKEPHB4HTR5ASLC2A1
Trifluoroacetic Acid SCHEMBL3047584 0.81 CCR2 (0.38) HDAC1TEKEPHB4HTR5ASLC2A1
Trifluoroacetic Acid SCHEMBL3039719 0.81 MEN1 (0.43) HDAC1HTR5ASLC2A1
Trifluoroacetic Acid SCHEMBL3044503 0.80 HTR5A (0.44) HTR5ASLC2A1HTR1ADRD2DRD4
Trifluoroacetic Acid SCHEMBL3044914 0.80 HTR5A (0.39) HTR5AHTR1ADRD2DRD4HTR1D
Trifluoroacetic Acid SCHEMBL3045182 0.80 HDAC1 (0.43) HDAC1SLC2A1DYRK1A

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-20100222345-A1 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS FOR OPIOID RECEPTORS SMITHKLINE BEECHAM CORPORATION 2010-09-02 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-20100222345-A1 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS FOR OPIOID RECEPTORS OPRL1, OPRM1, OPRK1 HDAC1 2221/4885TEK 788/4885EPHB4 950/4885

“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.