Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5435385

CCOc1ccccc1CN1CCC2(CC1)CCN(C(=O)c1cccc3ccccc13)CC2.O=C(O)C(F)(F)F

nearest known ligand 0.61

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.61
CHRM3 P20309 1/20 0.61
KDM4E B2RXH2 2/20 0.54
ALDH1A1 P00352 2/20 0.54
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
USP2 O75604 2/20 0.51
TSHR P16473 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
CYP2D6 P10635 6/20 0.50
CCR8 P51685 4/20 0.49
KCNH2 Q12809 4/20 0.49
LMNA P02545 1/20 0.49
CYP3A4 P08684 1/20 0.48

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
SCHEMBL5390502 0.94 CHRM2 (0.65) CHRM2CHRM3KDM4EALDH1A1MEN1
Trifluoroacetic Acid SCHEMBL5431234 0.90 CHRM2 (0.53) CHRM2CHRM3KDM4EALDH1A1MEN1
Trifluoroacetic Acid SCHEMBL5433852 0.88 CHRM2 (0.61) CHRM2CHRM3ALDH1A1USP2TSHR
Trifluoroacetic Acid SCHEMBL5434899 0.87 CHRM2 (0.56) CHRM2CHRM3ALDH1A1USP2TSHR
Trifluoroacetic Acid SCHEMBL5424989 0.87 CHRM2 (0.63) CHRM2CHRM3ALDH1A1USP2TSHR
Trifluoroacetic Acid SCHEMBL5436414 0.87 CHRM2 (0.63) CHRM2CHRM3ALDH1A1USP2TSHR
Trifluoroacetic Acid SCHEMBL5426050 0.87 CHRM2 (0.60) CHRM2CHRM3KDM4EALDH1A1MEN1
Trifluoroacetic Acid SCHEMBL5431336 0.86 CCR8 (0.62) CHRM2CHRM3ALDH1A1USP2TSHR
Trifluoroacetic Acid SCHEMBL5432007 0.85 CCR8 (0.56) CHRM2CHRM3KDM4EALDH1A1MEN1
Trifluoroacetic Acid SCHEMBL5431095 0.85 CCR8 (0.56) CHRM2CHRM3KDM4EALDH1A1MEN1

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 CHRM2 581/4885CHRM3 312/4885KDM4E 2994/4885

“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.