Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5437388

COc1cccc(CN2CCC3(CC2)CCN(C(=O)c2ccccc2)CC3)c1.O=C(O)C(F)(F)F

nearest known ligand 0.70

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 5/20 0.70
TSHR P16473 3/20 0.70
CHRM2 P08172 3/20 0.67
CHRM3 P20309 3/20 0.67
CCR8 P51685 5/20 0.66
KCNH2 Q12809 5/20 0.66
MEN1 O00255 3/20 0.65
KMT2A Q03164 3/20 0.65
KDM4E B2RXH2 3/20 0.65
ALDH1A1 P00352 3/20 0.65
LMNA P02545 2/20 0.65
MAPT P10636 1/20 0.65
RECQL P46063 1/20 0.65
CYP3A4 P08684 4/20 0.63
MAPK1 P28482 1/20 0.61
USP2 O75604 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.59
GAA P10253 1/20 0.59
CYP2C19 P33261 1/20 0.57
CYP2C9 P11712 1/20 0.57

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 SCHEMBL5428856 0.92 TSHR (0.70) CYP2D6TSHRCHRM2CHRM3CCR8
Trifluoroacetic Acid SCHEMBL5431418 0.90 CHRM2 (0.65) CYP2D6TSHRCHRM2CHRM3CCR8
Trifluoroacetic Acid SCHEMBL5426142 0.90 CCR8 (0.66) CYP2D6TSHRCHRM2CHRM3CCR8
Trifluoroacetic Acid SCHEMBL5435327 0.87 CHRM2 (0.89) CYP2D6TSHRCHRM2CHRM3CCR8
Trifluoroacetic Acid SCHEMBL5436006 0.85 CHRM2 (0.89) CYP2D6TSHRCHRM2CHRM3CCR8
Trifluoroacetic Acid SCHEMBL5434780 0.85 USP2 (0.73) CYP2D6TSHRCHRM2CHRM3CCR8
Trifluoroacetic Acid SCHEMBL5441625 0.84 CYP2D6 (0.62) CYP2D6TSHRCHRM2CHRM3CCR8
Trifluoroacetic Acid SCHEMBL5433513 0.84 CYP2D6 (0.63) CYP2D6TSHRCCR8KCNH2MEN1
Trifluoroacetic Acid SCHEMBL4189677 0.84 CCR8 (0.91) CYP2D6TSHRCHRM2CHRM3CCR8
SCHEMBL5437394 0.83 KMT2A (0.54) CYP2D6TSHRCHRM2CHRM3CCR8

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 1764/4885TSHR 3697/4885CHRM2 581/4885

“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.