Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4235237

CC1(C)Oc2cccc(CN3CCC4(CC3)CCN(C(=O)c3ccnnc3N)CC4)c2O1.O=C(O)C(F)(F)F

nearest known ligand 0.63

Full drug profile on Sugi Atlas →

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 15/20 0.63
KCNH2 Q12809 15/20 0.63
CYP2D6 P10635 3/20 0.39
CYP3A4 P08684 2/20 0.39
CHRM2 P08172 1/20 0.38
TSHR P16473 2/20 0.38
USP2 O75604 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP2C19 P33261 1/20 0.36

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
SCHEMBL4237087 0.95 CCR8 (0.69) CCR8KCNH2CYP2D6CYP3A4CHRM2
Trifluoroacetic Acid SCHEMBL4236241 0.87 CCR8 (0.64) CCR8KCNH2CYP2D6CYP3A4TSHR
Trifluoroacetic Acid SCHEMBL4241960 0.83 CCR8 (0.59) CCR8KCNH2CYP2D6CHRM2TSHR
SCHEMBL4234424 0.82 CCR8 (0.69) CCR8KCNH2CYP2D6CYP3A4TSHR
SCHEMBL4239268 0.81 CCR8 (0.70) CCR8KCNH2CYP2D6CYP3A4USP2
SCHEMBL4229193 0.81 CCR8 (0.70) CCR8KCNH2CYP2D6CYP3A4USP2
Trifluoroacetic Acid SCHEMBL4235578 0.81 CCR8 (0.54) CCR8KCNH2CYP2D6CYP3A4CHRM2
SCHEMBL4230127 0.80 CCR8 (0.71) CCR8KCNH2CYP2D6CYP3A4USP2
Trifluoroacetic Acid SCHEMBL4238797 0.79 CCR8 (0.52) CCR8KCNH2CYP2D6CYP3A4CHRM2
SCHEMBL4238892 0.78 CCR8 (0.77) CCR8KCNH2CYP2D6CYP3A4TSHR

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-20090156575-A1 NOVEL DIAZASPIROALKANES AND THEIR USE FOR TREATMENT OF CCR8 MEDIATED DISEASES ASTRAZENECA AB (SE) 2009-06-18 US disclosed
EP-1926730-A1 NOVEL DIAZASPIROALKANES AND THEIR USE FOR TREATMENT OF CCR8 MEDIATED DISEASES AstraZeneca AB (SE) 2008-06-04 EP disclosed
WO-2007030061-A1 NOVEL DIAZASPIROALKANES AND THEIR USE FOR TREATMENT OF CCR8 MEDIATED DISEASES ASTRAZENECA AB (SE) 2007-03-15 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-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.