Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5432007

CC(C)COc1ccccc1CN1CCC2(CC1)CCN(C(=O)c1cccc3ccccc13)C2.O=C(O)C(F)(F)F

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 5/20 0.56
KCNH2 Q12809 5/20 0.56
ALDH1A1 P00352 4/20 0.49
KDM4E B2RXH2 2/20 0.49
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
TSHR P16473 4/20 0.44
USP2 O75604 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CHRM2 P08172 1/20 0.44
CHRM3 P20309 1/20 0.44
LMNA P02545 1/20 0.44
CYP2D6 P10635 4/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
ABCB1 P08183 2/20 0.42

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 SCHEMBL5431095 0.95 CCR8 (0.56) CCR8KCNH2ALDH1A1KDM4EMEN1
SCHEMBL5396150 0.95 CCR8 (0.61) CCR8KCNH2ALDH1A1KDM4EMEN1
SCHEMBL5401828 0.90 CCR8 (0.61) CCR8KCNH2ALDH1A1KDM4EMEN1
Trifluoroacetic Acid SCHEMBL5429239 0.89 CCR8 (0.56) CCR8KCNH2ALDH1A1TSHRUSP2
Trifluoroacetic Acid SCHEMBL5441557 0.88 CCR8 (0.58) CCR8KCNH2ALDH1A1TSHRUSP2
Trifluoroacetic Acid SCHEMBL5428381 0.88 CCR8 (0.56) CCR8KCNH2ALDH1A1KDM4EMEN1
Trifluoroacetic Acid SCHEMBL5432052 0.88 CCR8 (0.56) CCR8KCNH2ALDH1A1TSHRUSP2
Trifluoroacetic Acid SCHEMBL5431240 0.88 CCR8 (0.56) CCR8KCNH2ALDH1A1TSHRUSP2
Trifluoroacetic Acid SCHEMBL5428445 0.86 CCR8 (0.56) CCR8KCNH2ALDH1A1TSHRUSP2
Trifluoroacetic Acid SCHEMBL5435385 0.85 CHRM2 (0.61) CCR8KCNH2ALDH1A1KDM4EMEN1

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 2793/4885ALDH1A1 1230/4885

“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.