Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5434658

CN(C)c1cccc(C(=O)N2CCC3(CCN(Cc4ccccc4OCc4ccccc4)CC3)CC2)c1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.57

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 7/20 0.57
USP2 O75604 4/20 0.54
TSHR P16473 3/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
MAPK1 P28482 1/20 0.52
CCR8 P51685 6/20 0.50
KCNH2 Q12809 6/20 0.50
ALDH1A1 P00352 3/20 0.50
CHRM2 P08172 3/20 0.49
CHRM3 P20309 3/20 0.49
CYP3A4 P08684 2/20 0.49

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
SCHEMBL5431253 0.96 CYP2D6 (0.59) CYP2D6USP2TSHRSMN1; SMN2MAPK1
Trifluoroacetic Acid SCHEMBL5434403 0.92 CYP2D6 (0.59) CYP2D6USP2TSHRSMN1; SMN2MAPK1
Trifluoroacetic Acid SCHEMBL5439962 0.91 CYP2D6 (0.56) CYP2D6USP2TSHRSMN1; SMN2CCR8
Trifluoroacetic Acid SCHEMBL5434940 0.89 CHRM2 (0.61) CYP2D6USP2TSHRSMN1; SMN2MAPK1
Trifluoroacetic Acid SCHEMBL5433513 0.88 CYP2D6 (0.63) CYP2D6USP2TSHRSMN1; SMN2MAPK1
Trifluoroacetic Acid SCHEMBL5431428 0.87 USP2 (0.64) CYP2D6USP2TSHRSMN1; SMN2MAPK1
SCHEMBL5399254 0.86 CYP2D6 (0.62) CYP2D6USP2TSHRSMN1; SMN2CCR8
SCHEMBL5395015 0.86 CYP2D6 (0.61) CYP2D6USP2TSHRSMN1; SMN2CCR8
SCHEMBL5394019 0.85 USP2 (0.66) CYP2D6USP2TSHRSMN1; SMN2MAPK1
Trifluoroacetic Acid SCHEMBL5444783 0.85 CYP2D6 (0.55) CYP2D6USP2TSHRSMN1; SMN2MAPK1

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 1 patent. 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

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 1764/4885USP2 1826/4885TSHR 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.