Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5428449

CC(C)COc1ccccc1CN1CCC2(CCN(C(=O)c3ccc4ccccc4c3)CC2)C1.O=C(O)C(F)(F)F

nearest known ligand 0.61

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 6/20 0.61
KCNH2 Q12809 6/20 0.61
CYP3A4 P08684 9/20 0.53
TSHR P16473 6/20 0.53
HIF1A Q16665 1/20 0.53
CYP2D6 P10635 11/20 0.52
USP2 O75604 5/20 0.52
ALDH1A1 P00352 5/20 0.51
SMN1; SMN2 Q16637 1/20 0.50
CYP1A2 P05177 2/20 0.48
CYP2C9 P11712 1/20 0.48

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 SCHEMBL5428081 0.95 CCR8 (0.61) CCR8KCNH2CYP3A4TSHRHIF1A
SCHEMBL5405336 0.95 CCR8 (0.67) CCR8KCNH2CYP3A4TSHRHIF1A
Trifluoroacetic Acid SCHEMBL5432400 0.94 CYP2D6 (0.57) CCR8KCNH2CYP3A4TSHRHIF1A
SCHEMBL5405956 0.90 CCR8 (0.67) CCR8KCNH2CYP3A4TSHRCYP2D6
Trifluoroacetic Acid SCHEMBL5431983 0.89 CCR8 (0.60) CCR8KCNH2CYP3A4TSHRHIF1A
Trifluoroacetic Acid SCHEMBL5432494 0.89 CCR8 (0.60) CCR8KCNH2CYP3A4TSHRHIF1A
Trifluoroacetic Acid SCHEMBL5428094 0.89 CYP2D6 (0.67) CCR8KCNH2CYP3A4TSHRHIF1A
Trifluoroacetic Acid SCHEMBL5436904 0.89 CCR8 (0.66) CCR8KCNH2CYP3A4TSHRHIF1A
Trifluoroacetic Acid SCHEMBL5426520 0.89 CCR8 (0.66) CCR8KCNH2CYP3A4TSHRHIF1A
Trifluoroacetic Acid SCHEMBL5434991 0.89 CCR8 (0.57) CCR8KCNH2CYP3A4TSHRHIF1A

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 2793/4885CYP3A4 3598/4885

“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.