Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5436006

O=C(O)C(F)(F)F.O=C(c1ccccc1)N1CCC2(CCN(Cc3cccc(Cl)c3)CC2)CC1

nearest known ligand 0.89

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 5/20 0.89
CHRM3 P20309 4/20 0.89
CYP2D6 P10635 6/20 0.68
MAPK1 P28482 2/20 0.68
USP2 O75604 2/20 0.67
CCR8 P51685 4/20 0.66
KCNH2 Q12809 4/20 0.66
TSHR P16473 4/20 0.64
CYP3A4 P08684 4/20 0.64
CYP2C19 P33261 2/20 0.64
CYP2C9 P11712 2/20 0.56
CYP1A2 P05177 1/20 0.56
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
LMNA P02545 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
HIF1A Q16665 1/20 0.55

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 SCHEMBL5434780 0.87 USP2 (0.73) CHRM2CHRM3CYP2D6MAPK1USP2
Trifluoroacetic Acid SCHEMBL5435327 0.87 CHRM2 (0.89) CHRM2CHRM3CYP2D6MAPK1USP2
Trifluoroacetic Acid SCHEMBL5426142 0.85 CCR8 (0.66) CHRM2CHRM3CYP2D6MAPK1USP2
Trifluoroacetic Acid SCHEMBL5437388 0.85 CYP2D6 (0.70) CHRM2CHRM3CYP2D6MAPK1USP2
Trifluoroacetic Acid SCHEMBL5435058 0.83 CHRM2 (0.66) CHRM2CHRM3CYP2D6MAPK1USP2
Trifluoroacetic Acid SCHEMBL5431418 0.83 CHRM2 (0.65) CHRM2CHRM3CYP2D6MAPK1USP2
SCHEMBL5436009 0.81 CHRM2 (0.65) CHRM2CHRM3CYP2D6MAPK1USP2
Trifluoroacetic Acid SCHEMBL5428856 0.80 TSHR (0.70) CHRM2CHRM3CYP2D6MAPK1USP2
Trifluoroacetic Acid SCHEMBL5429059 0.80 CCR8 (0.73) CHRM2CHRM3CYP2D6MAPK1USP2
SCHEMBL5413803 0.78 CCR8 (0.82) CHRM2CHRM3CYP2D6MAPK1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070249648-A1 Novel Diazaspiroalkanes and Their Use for Treatment of Ccr8 Mediated Diseases ASTRAZENECA AB (SE) 2007-10-25 US disclosed
EP-1678178-A1 NOVEL DIAZASPIROALKANES AND THEIR USE FOR TREATMENT OF CCR8 MEDIATED DISEASES AstraZeneca AB (SE) 2006-07-12 EP disclosed
WO-2005040167-A1 NOVEL DIAZASPIROALKANES AND THEIR USE FOR TREATMENT OF CCR8 MEDIATED DISEASES ASTRAZENECA AB (SE) 2005-05-06 WO 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-20070249648-A1 Novel Diazaspiroalkanes and Their Use for Treatment of Ccr8 Mediated Diseases CCR8, CCR1, CCR10 CHRM2 581/4885CHRM3 312/4885CYP2D6 1764/4885

“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.