Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5428445

CC(C)COc1ccccc1CN1CCC2(CC1)CCN(C(=O)c1ccccc1S(C)(=O)=O)C2.O=C(O)C(F)(F)F

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 5/20 0.56
KCNH2 Q12809 5/20 0.56
LMNA P02545 1/20 0.45
TSHR P16473 6/20 0.44
USP2 O75604 4/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CHRM2 P08172 1/20 0.43
CHRM3 P20309 1/20 0.43
CYP2D6 P10635 8/20 0.42
CYP3A4 P08684 3/20 0.42
ALDH1A1 P00352 2/20 0.42
CYP1A2 P05177 1/20 0.42
CACNA1B Q00975 2/20 0.42
HIF1A Q16665 1/20 0.41

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
SCHEMBL5401931 0.95 CCR8 (0.61) CCR8KCNH2LMNATSHRUSP2
Trifluoroacetic Acid SCHEMBL5431337 0.91 CCR8 (0.51) CCR8KCNH2TSHRUSP2SMN1; SMN2
Trifluoroacetic Acid SCHEMBL5441557 0.88 CCR8 (0.58) CCR8KCNH2TSHRUSP2SMN1; SMN2
Trifluoroacetic Acid SCHEMBL5428487 0.87 CCR8 (0.62) CCR8KCNH2LMNATSHRUSP2
Trifluoroacetic Acid SCHEMBL5429239 0.86 CCR8 (0.56) CCR8KCNH2TSHRUSP2SMN1; SMN2
Trifluoroacetic Acid SCHEMBL5432007 0.86 CCR8 (0.56) CCR8KCNH2LMNATSHRUSP2
Trifluoroacetic Acid SCHEMBL5432052 0.85 CCR8 (0.56) CCR8KCNH2TSHRUSP2SMN1; SMN2
Trifluoroacetic Acid SCHEMBL5431240 0.85 CCR8 (0.56) CCR8KCNH2TSHRUSP2SMN1; SMN2
Trifluoroacetic Acid SCHEMBL5428381 0.85 CCR8 (0.56) CCR8KCNH2TSHRUSP2SMN1; SMN2
SCHEMBL5406024 0.85 CCR8 (0.56) CCR8KCNH2TSHRUSP2SMN1; SMN2

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 CCR8 1/4885KCNH2 2793/4885LMNA 2283/4885

“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.