Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5437463

COc1cccc(C(=O)N2CCC3(CCN(Cc4ccccc4OCc4ccccc4)CC3)CC2)c1OC.O=C(O)C(F)(F)F

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 8/20 0.56
ALDH1A1 P00352 3/20 0.56
TSHR P16473 2/20 0.56
USP2 O75604 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
CCR8 P51685 6/20 0.55
KCNH2 Q12809 6/20 0.55
CHRM2 P08172 1/20 0.54
CHRM3 P20309 1/20 0.54
CYP3A4 P08684 1/20 0.53
KDM4E B2RXH2 2/20 0.51
SCN9A Q15858 1/20 0.51
LMNA P02545 1/20 0.50
GAA P10253 1/20 0.50
HTT P42858 1/20 0.50

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
SCHEMBL5397436 0.96 CYP2D6 (0.60) CYP2D6ALDH1A1TSHRUSP2SMN1; SMN2
Trifluoroacetic Acid SCHEMBL5426050 0.91 CHRM2 (0.60) CYP2D6ALDH1A1TSHRUSP2SMN1; SMN2
Trifluoroacetic Acid SCHEMBL5434936 0.87 CHRM2 (0.55) CYP2D6ALDH1A1TSHRUSP2SMN1; SMN2
Trifluoroacetic Acid SCHEMBL5431234 0.86 CHRM2 (0.53) CYP2D6ALDH1A1TSHRUSP2SMN1; SMN2
Trifluoroacetic Acid SCHEMBL5437911 0.86 CHRM2 (0.57) CYP2D6ALDH1A1TSHRUSP2SMN1; SMN2
Trifluoroacetic Acid SCHEMBL5432761 0.86 CCR8 (0.56) CYP2D6ALDH1A1TSHRUSP2SMN1; SMN2
SCHEMBL5437468 0.86 KDM4E (0.47) CYP2D6ALDH1A1TSHRUSP2SMN1; SMN2
SCHEMBL5390526 0.86 CHRM2 (0.64) CYP2D6ALDH1A1TSHRUSP2SMN1; SMN2
Trifluoroacetic Acid SCHEMBL5432515 0.85 CHRM2 (0.55) CYP2D6ALDH1A1TSHRUSP2SMN1; SMN2
Trifluoroacetic Acid SCHEMBL5434072 0.85 TSHR (0.63) CYP2D6ALDH1A1TSHRUSP2SMN1; 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-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 CYP2D6 1764/4885ALDH1A1 1230/4885TSHR 3697/4885

“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.