Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4233145

CC1(C)Cc2cccc(CN3CCC4(CC3)CCN(C(=O)c3ccc(Cl)cc3CC(=O)O)CC4)c2O1.O=C(O)C(F)(F)F

nearest known ligand 0.55

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 14/20 0.55
KCNH2 Q12809 14/20 0.55
CHRM2 P08172 1/20 0.41
CHRM3 P20309 1/20 0.41
HTR1A P08908 1/20 0.39
DRD2 P14416 1/20 0.39
ADRA1A P35348 1/20 0.39
USP2 O75604 2/20 0.39
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP2D6 P10635 2/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL4235218 0.96 CCR8 (0.59) CCR8KCNH2CHRM2CHRM3HTR1A
SCHEMBL4233147 0.89 CCR8 (0.53) CCR8KCNH2CHRM2CHRM3HTR1A
SCHEMBL4237303 0.86 CCR8 (0.64) CCR8KCNH2CHRM2CHRM3USP2
Trifluoroacetic Acid SCHEMBL4237963 0.85 CCR8 (0.59) CCR8KCNH2CHRM2CHRM3USP2
Trifluoroacetic Acid SCHEMBL4230125 0.84 CCR8 (0.60) CCR8KCNH2CHRM2CHRM3USP2
Trifluoroacetic Acid SCHEMBL4239233 0.84 CCR8 (0.60) CCR8KCNH2CHRM2CHRM3USP2
Trifluoroacetic Acid SCHEMBL4238914 0.82 CCR8 (0.69) CCR8KCNH2CHRM2CHRM3USP2
SCHEMBL4234755 0.81 CCR8 (0.62) CCR8KCNH2CHRM2CHRM3USP2
Trifluoroacetic Acid SCHEMBL4234518 0.81 CCR8 (0.69) CCR8KCNH2USP2TSHRCYP2D6
Trifluoroacetic Acid SCHEMBL4235417 0.80 CCR8 (0.59) CCR8KCNH2USP2TSHRSMN1; SMN2

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 3143/4885CHRM2 1231/4885

“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.