Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3039939

CC1(C)CCC(NCc2ccc(-c3cc4[nH]cnc4cc3C(F)(F)F)cc2)CC1.O=C(O)C(F)(F)F

nearest known ligand 0.36

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 1/20 0.36
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
SLC2A1 P11166 3/20 0.34
WDR5 P61964 4/20 0.34
HTR5A P47898 1/20 0.34
EPHX2 P34913 2/20 0.33
LIPG Q9Y5X9 3/20 0.33
JAK1 P23458 1/20 0.33
PRKD1 Q15139 1/20 0.32
ULK1 O75385 1/20 0.32
ULK2 Q8IYT8 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
SCHEMBL13137042 0.94 ULK1 (0.35) CCR2OPRM1OPRD1OPRK1WDR5
Trifluoroacetic Acid SCHEMBL3041959 0.91 SLC2A1 (0.36) CCR2OPRM1OPRD1OPRK1SLC2A1
Trifluoroacetic Acid SCHEMBL3041840 0.87 CCR2 (0.38) CCR2OPRM1OPRD1OPRK1SLC2A1
Trifluoroacetic Acid SCHEMBL1873575 0.86 PTK2 (0.35) CCR2OPRM1OPRD1OPRK1EPHX2
Trifluoroacetic Acid SCHEMBL3048634 0.84 SLC2A1 (0.45) SLC2A1HTR5A
Trifluoroacetic Acid SCHEMBL3047273 0.83 OPRM1 (0.36) CCR2OPRM1OPRD1OPRK1SLC2A1
Trifluoroacetic Acid SCHEMBL1878705 0.81 CCR2 (0.37) CCR2OPRM1OPRD1OPRK1
Trifluoroacetic Acid SCHEMBL3049039 0.81 OPRM1 (0.35) CCR2OPRM1OPRD1OPRK1SLC2A1
Hydrochloric Acid SCHEMBL3045140 0.81 QPCT (0.36) OPRM1OPRD1OPRK1
SCHEMBL13137048 0.81 QPCT (0.37) OPRM1OPRD1OPRK1JAK1

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 CCR2 369/4885OPRM1 2/4885OPRD1 4/4885

“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.