Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4239233

CC1(C)Cc2cccc(CN3CCC4(CC3)CCN(C(=O)c3ccccc3-c3ccccc3C(=O)O)CC4)c2O1.O=C(O)C(F)(F)F

nearest known ligand 0.60

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 12/20 0.60
KCNH2 Q12809 12/20 0.60
NR1H4 Q96RI1 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
USP2 O75604 2/20 0.42
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SSTR5 P35346 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM3 P20309 1/20 0.41
CYP2D6 P10635 2/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL4233164 0.96 CCR8 (0.64) CCR8KCNH2NR1H4L3MBTL1USP2
Trifluoroacetic Acid SCHEMBL4230125 0.90 CCR8 (0.60) CCR8KCNH2USP2TSHRSMN1; SMN2
Trifluoroacetic Acid SCHEMBL4238914 0.90 CCR8 (0.69) CCR8KCNH2USP2TSHRSMN1; SMN2
Trifluoroacetic Acid SCHEMBL4237963 0.89 CCR8 (0.59) CCR8KCNH2USP2TSHRSMN1; SMN2
Trifluoroacetic Acid SCHEMBL4242983 0.88 CCR8 (0.57) CCR8KCNH2USP2TSHRSMN1; SMN2
SCHEMBL4239242 0.88 CCR8 (0.57) CCR8KCNH2USP2TSHRSMN1; SMN2
Trifluoroacetic Acid SCHEMBL4237450 0.87 CCR8 (0.55) CCR8KCNH2USP2TSHRSMN1; SMN2
SCHEMBL4237303 0.87 CCR8 (0.64) CCR8KCNH2USP2SSTR5CHRM2
Trifluoroacetic Acid SCHEMBL4229246 0.86 CCR8 (0.55) CCR8KCNH2USP2TSHRSMN1; SMN2
Trifluoroacetic Acid SCHEMBL4235036 0.85 CCR8 (0.72) CCR8KCNH2SSTR5CHRM2CHRM3

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 3143/4885NR1H4 133/4885

“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.