Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3047273

Cc1nc2nc[nH]c2cc1-c1ccc(CNC2CCC(C)(C)CC2)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.36

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
JAK1 P23458 3/20 0.34
SLC2A1 P11166 4/20 0.34
CCR2 P41597 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
HTR5A P47898 1/20 0.34
PLG P00747 1/20 0.34
KLKB1 P03952 1/20 0.34
AKT1 P31749 2/20 0.33
DHODH Q02127 1/20 0.32
PRKD1 Q15139 1/20 0.32
CYP3A4 P08684 1/20 0.32
ABL1 P00519 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
TEAD1 P28347 1/20 0.32

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
SCHEMBL13137046 0.91 OPRM1 (0.35) OPRM1OPRD1OPRK1JAK1CNR1
Trifluoroacetic Acid SCHEMBL3047253 0.85 SLC2A1 (0.46) SLC2A1HTR5AHDAC1
Trifluoroacetic Acid SCHEMBL3041959 0.85 SLC2A1 (0.36) OPRM1OPRD1OPRK1JAK1SLC2A1
Trifluoroacetic Acid SCHEMBL3039939 0.83 CCR2 (0.36) OPRM1OPRD1OPRK1JAK1SLC2A1
Trifluoroacetic Acid SCHEMBL3049039 0.83 OPRM1 (0.35) OPRM1OPRD1OPRK1JAK1SLC2A1
Trifluoroacetic Acid SCHEMBL3041840 0.81 CCR2 (0.38) OPRM1OPRD1OPRK1JAK1SLC2A1
Trifluoroacetic Acid SCHEMBL3048446 0.80 HTR5A (0.41) SLC2A1CNR1CNR2HTR5APLG
SCHEMBL3047275 0.79 CNR1 (0.31) CNR1CNR2
Trifluoroacetic Acid SCHEMBL1878705 0.76 CCR2 (0.37) OPRM1OPRD1OPRK1CCR2
SCHEMBL13137042 0.76 ULK1 (0.35) OPRM1OPRD1OPRK1CCR2CYP3A4

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 OPRM1 2/4885OPRD1 4/4885OPRK1 3/4885

“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.