Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1877883

COc1cc(CNC2Cc3ccccc3C2)ccc1Oc1ccc2[nH]cnc2c1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 4/20 0.44
QPCT Q16769 3/20 0.41
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CTSD P07339 1/20 0.37
HTR5A P47898 1/20 0.37
DRD2 P14416 1/20 0.36
NPC1 O15118 1/20 0.36
PKM P14618 1/20 0.36
RAB9A P51151 1/20 0.36
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35

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
SCHEMBL1879928 0.92 QPCT (0.41) QPCTKDM4EMEN1KMT2ADRD2
Trifluoroacetic Acid SCHEMBL1872774 0.91 SLC2A1 (0.40) SLC2A1HTR5A
Trifluoroacetic Acid SCHEMBL1872269 0.90 SLC2A1 (0.41) SLC2A1HTR5A
Trifluoroacetic Acid SCHEMBL1875567 0.90 SLC2A1 (0.38) SLC2A1QPCTHTR5A
Trifluoroacetic Acid SCHEMBL1874615 0.90 SLC2A1 (0.38) SLC2A1QPCTHTR5A
Trifluoroacetic Acid SCHEMBL1872975 0.89 QPCT (0.38) SLC2A1QPCT
Trifluoroacetic Acid SCHEMBL1874603 0.88 SLC2A1 (0.42) SLC2A1HTR5A
Trifluoroacetic Acid SCHEMBL1877154 0.87 DRD2 (0.43) SLC2A1HTR5ADRD2
SCHEMBL12633820 0.85 QPCT (0.47) QPCTDRD2
Trifluoroacetic Acid SCHEMBL1878258 0.85 SLC2A1 (0.36) SLC2A1QPCT

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-7939528-B2 Heterocycle compounds GLAXOSMITHKLINE LLC (US) 2011-05-10 US disclosed
US-20090054431-A1 NOVEL HETEROCYCLE COMPOUNDS GLAXOSMITHKLINE LLC 2009-02-26 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-20090054431-A1 NOVEL HETEROCYCLE COMPOUNDS OPRK1, OPRL1, OPRD1 SLC2A1 3519/4885QPCT 1336/4885KDM4E 2700/4885

“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.