Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5428335

COc1ccc(CC(=O)N2CCC3(CCN(Cc4ccccc4OCC(C)C)CC3)C2)cc1OC.O=C(O)C(F)(F)F

nearest known ligand 0.57

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 3/20 0.52
KCNH2 Q12809 3/20 0.52
TSHR P16473 6/20 0.48
USP2 O75604 3/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CYP2D6 P10635 8/20 0.47
KDM4E B2RXH2 1/20 0.47
ALOX15 P16050 1/20 0.47
ALDH1A1 P00352 3/20 0.46
CYP3A4 P08684 2/20 0.45
HIF1A Q16665 1/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2C19 P33261 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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 SCHEMBL5431288 0.95 CCR8 (0.50) CCR8KCNH2TSHRUSP2SMN1; SMN2
SCHEMBL5413996 0.95 CCR8 (0.56) CCR8KCNH2TSHRUSP2CYP2D6
Trifluoroacetic Acid SCHEMBL5446345 0.95 CCR8 (0.49) CCR8KCNH2TSHRUSP2SMN1; SMN2
SCHEMBL5414714 0.91 CCR8 (0.52) CCR8KCNH2TSHRCYP2D6KDM4E
Trifluoroacetic Acid SCHEMBL5429056 0.90 CCR8 (0.47) CCR8KCNH2TSHRUSP2SMN1; SMN2
SCHEMBL5404988 0.90 MEN1 (0.54) CCR8KCNH2TSHRUSP2CYP2D6
Trifluoroacetic Acid SCHEMBL5433643 0.89 CCR8 (0.55) CCR8KCNH2TSHRUSP2SMN1; SMN2
Trifluoroacetic Acid SCHEMBL5428127 0.88 CCR8 (0.54) CCR8KCNH2TSHRUSP2SMN1; SMN2
Trifluoroacetic Acid SCHEMBL5431108 0.88 CCR8 (0.54) CCR8KCNH2TSHRUSP2SMN1; SMN2
Trifluoroacetic Acid SCHEMBL5436918 0.88 CCR8 (0.54) 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 2793/4885TSHR 3697/4885

“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.