Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5425828

COc1ccccc1CN1CCC2(CC1)CCN(C(=O)c1ccccc1)CC2.O=C(O)C(F)(F)F

nearest known ligand 0.77

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 12/20 0.77
CYP3A4 P08684 5/20 0.77
USP2 O75604 4/20 0.77
TSHR P16473 4/20 0.76
SMN1; SMN2 Q16637 1/20 0.76
CCR8 P51685 5/20 0.68
KCNH2 Q12809 5/20 0.68
ALDH1A1 P00352 4/20 0.66
HIF1A Q16665 1/20 0.62
CYP1A2 P05177 1/20 0.62
CYP2C9 P11712 1/20 0.62

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
Trifluoroacetic Acid SCHEMBL5431336 0.90 CCR8 (0.62) CYP2D6CYP3A4USP2TSHRSMN1; SMN2
Trifluoroacetic Acid SCHEMBL5437422 0.88 CCR8 (0.60) CYP2D6CYP3A4USP2TSHRSMN1; SMN2
Trifluoroacetic Acid SCHEMBL5428526 0.88 CCR8 (0.89) CYP2D6CYP3A4USP2TSHRSMN1; SMN2
Trifluoroacetic Acid SCHEMBL5431096 0.87 CCR8 (0.79) CYP2D6CYP3A4USP2TSHRSMN1; SMN2
Trifluoroacetic Acid SCHEMBL5434940 0.87 CHRM2 (0.61) CYP2D6CYP3A4USP2TSHRSMN1; SMN2
Trifluoroacetic Acid SCHEMBL5426503 0.86 CYP2D6 (0.75) CYP2D6CYP3A4USP2TSHRSMN1; SMN2
Trifluoroacetic Acid SCHEMBL5431491 0.85 CCR8 (0.65) CYP2D6CYP3A4USP2TSHRSMN1; SMN2
Trifluoroacetic Acid SCHEMBL5429161 0.85 CYP2D6 (0.73) CYP2D6CYP3A4USP2TSHRSMN1; SMN2
Trifluoroacetic Acid SCHEMBL5434111 0.85 TSHR (0.65) CYP2D6CYP3A4USP2TSHRSMN1; SMN2
Trifluoroacetic Acid SCHEMBL5431088 0.85 CCR8 (0.58) CYP2D6CYP3A4USP2TSHRSMN1; 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 1764/4885CYP3A4 3598/4885USP2 1826/4885

“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.