Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3363160

O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=S1(=O)CCCN1CCN1CCNCC1

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.33
CXCR4 P61073 2/20 0.33
PKM P14618 1/20 0.32
CHRM5 P08912 2/20 0.32
CHRM3 P20309 2/20 0.32
SLC2A1 P11166 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM1 P11229 1/20 0.31
HRH4 Q9H3N8 2/20 0.31
HRH3 Q9Y5N1 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD17B10 Q99714 1/20 0.30
ARG1 P05089 2/20 0.30
ARG2 P78540 2/20 0.30
POLB P06746 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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 SCHEMBL1546439 1.00 PDK2 (0.33) PDK2CXCR4PKMCHRM5CHRM3
SCHEMBL13929146 0.86 CXCR4 (0.41) CXCR4CHRM5CHRM3ALDH1A1MEN1
SCHEMBL7643825 0.79 CXCR4 (0.50) CXCR4CHRM5CHRM3KDM4EALDH1A1
Trifluoroacetic Acid SCHEMBL1401786 0.75 PKM (0.38) CXCR4PKMCHRM5CHRM3SLC2A1
Trifluoroacetic Acid SCHEMBL1401787 0.75 PKM (0.38) CXCR4PKMCHRM5CHRM3SLC2A1
Trifluoroacetic Acid SCHEMBL22123107 0.73 KDM4E (0.39) CXCR4PKMCHRM5CHRM3SLC2A1
Trifluoroacetic Acid SCHEMBL3470280 0.73 ALOX15 (0.41) CXCR4PKMCHRM5CHRM3SLC2A1
Trifluoroacetic Acid SCHEMBL8438777 0.73 CXCR4 (0.47) CXCR4PKMCHRM5CHRM3SLC2A1
SCHEMBL4704889 0.72 OPRM1 (0.33) MEN1KMT2ASMN1; SMN2OPRM1
Trifluoroacetic Acid SCHEMBL29384411 0.71 CXCR4 (0.43) CXCR4PKMCHRM5CHRM3KDM4E

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1996590-B1 SPIROINDOLINONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2010-10-06 EP disclosed
US-7495007-B2 Spiroindolinone derivatives HOFFMANN-LA ROCHE INC. (US) 2009-02-24 US disclosed
EP-1996590-A1 SPIROINDOLINONE DERIVATIVES F. Hoffmann-la Roche AG (CH) 2008-12-03 EP disclosed
US-20080009486-A1 SPIROINDOLINONE DERIVATIVES HOFFMANN-LA ROCHE INC. 2008-01-10 US disclosed
WO-2007104664-A1 SPIROINDOLINONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-09-20 WO disclosed
US-20070213341-A1 Spiroindolinone derivatives CHEN LI 2007-09-13 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 (2 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-20080009486-A1 SPIROINDOLINONE DERIVATIVES RB1, PKD1, KRAS PDK2 179/4885CXCR4 796/4885PKM 2357/4885
US-20070213341-A1 Spiroindolinone derivatives MKI67, PKD1, RCC2 PDK2 86/4885CXCR4 1708/4885PKM 2194/4885

“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.