Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4243056

CC1(C)Cc2cccc(CN3CCC4(CC3)CCN(C(=O)c3cc(CN)ccn3)CC4)c2O1.O=C(O)C(F)(F)F

nearest known ligand 0.64

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 16/20 0.64
KCNH2 Q12809 16/20 0.64
CYP2D6 P10635 1/20 0.43
CYP3A4 P08684 2/20 0.42
MEN1 O00255 1/20 0.42
USP2 O75604 1/20 0.42
KMT2A Q03164 1/20 0.42
CYP1A2 P05177 1/20 0.42
KDM5A P29375 1/20 0.39
KDM4C Q9H3R0 1/20 0.39

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
SCHEMBL4239397 0.95 CCR8 (0.70) CCR8KCNH2CYP2D6CYP3A4USP2
Trifluoroacetic Acid SCHEMBL4237131 0.91 CCR8 (0.70) CCR8KCNH2CYP2D6CYP3A4MEN1
SCHEMBL4243566 0.86 CCR8 (0.77) CCR8KCNH2CYP2D6CYP3A4USP2
SCHEMBL4243058 0.85 CCR8 (0.59) CCR8KCNH2CYP2D6CYP3A4MEN1
SCHEMBL5033902 0.85 CCR8 (0.70) CCR8KCNH2CYP2D6CYP3A4USP2
SCHEMBL4237911 0.85 CCR8 (0.70) CCR8KCNH2CYP2D6CYP3A4USP2
Trifluoroacetic Acid SCHEMBL4234925 0.84 CCR8 (0.64) CCR8KCNH2CYP2D6CYP3A4USP2
SCHEMBL5033901 0.84 CCR8 (0.69) CCR8KCNH2CYP2D6CYP3A4USP2
Trifluoroacetic Acid SCHEMBL4234779 0.84 CCR8 (0.91) CCR8KCNH2CYP2D6
Trifluoroacetic Acid SCHEMBL4234982 0.83 CCR8 (0.64) CCR8KCNH2CYP2D6CYP3A4USP2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090156575-A1 NOVEL DIAZASPIROALKANES AND THEIR USE FOR TREATMENT OF CCR8 MEDIATED DISEASES ASTRAZENECA AB (SE) 2009-06-18 US 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-20090156575-A1 NOVEL DIAZASPIROALKANES AND THEIR USE FOR TREATMENT OF CCR8 MEDIATED DISEASES CCR8, CCR1, CCR10 CCR8 1/4885KCNH2 3143/4885CYP2D6 1868/4885

“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.