Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5428852

Cc1occc1C(=O)N1CCC2(CCN(Cc3ccccc3OCC(C)C)C2)CC1.O=C(O)C(F)(F)F

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 3/20 0.56
KCNH2 Q12809 3/20 0.56
CYP2D6 P10635 12/20 0.48
CYP3A4 P08684 10/20 0.48
ALDH1A1 P00352 7/20 0.48
TSHR P16473 6/20 0.46
HIF1A Q16665 1/20 0.46
EPHX2 P34913 1/20 0.46
USP2 O75604 3/20 0.45
CYP1A2 P05177 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP2C9 P11712 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 SCHEMBL5425803 0.95 CCR8 (0.56) CCR8KCNH2CYP2D6CYP3A4ALDH1A1
SCHEMBL5410767 0.95 CCR8 (0.61) CCR8KCNH2CYP2D6CYP3A4ALDH1A1
SCHEMBL5397145 0.90 CCR8 (0.61) CCR8KCNH2CYP2D6CYP3A4ALDH1A1
Trifluoroacetic Acid SCHEMBL5437393 0.88 CCR8 (0.55) CCR8KCNH2CYP2D6CYP3A4ALDH1A1
Trifluoroacetic Acid SCHEMBL5434090 0.87 CCR8 (0.56) CCR8KCNH2CYP2D6CYP3A4ALDH1A1
Trifluoroacetic Acid SCHEMBL5431622 0.86 CCR8 (0.56) CCR8KCNH2CYP2D6CYP3A4ALDH1A1
Trifluoroacetic Acid SCHEMBL5437624 0.86 CCR8 (0.58) CCR8KCNH2CYP2D6CYP3A4ALDH1A1
Trifluoroacetic Acid SCHEMBL5434133 0.86 CCR8 (0.56) CCR8KCNH2CYP2D6CYP3A4ALDH1A1
Trifluoroacetic Acid SCHEMBL5436593 0.85 CCR8 (0.56) CCR8KCNH2CYP2D6CYP3A4ALDH1A1
Trifluoroacetic Acid SCHEMBL5436904 0.85 CCR8 (0.66) CCR8KCNH2CYP2D6CYP3A4ALDH1A1

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 2793/4885CYP2D6 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.