Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5430883

CCOc1ccccc1CN1CCC2(CC1)CCN(C(=O)c1cccc(Oc3ccccc3)c1)CC2.O=C(O)C(F)(F)F

nearest known ligand 0.60

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 5/20 0.60
CCR8 P51685 11/20 0.59
KCNH2 Q12809 11/20 0.59
USP2 O75604 3/20 0.56
TSHR P16473 3/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
CHRM2 P08172 1/20 0.52
CHRM3 P20309 1/20 0.52
ALDH1A1 P00352 3/20 0.52
CYP3A4 P08684 2/20 0.52
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 1/20 0.50
LMNA P02545 1/20 0.50
KMT2A Q03164 1/20 0.50
NPSR1 Q6W5P4 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
SCHEMBL5394777 0.96 CCR8 (0.64) CYP2D6CCR8KCNH2USP2TSHR
Trifluoroacetic Acid SCHEMBL5439858 0.93 CYP2D6 (0.65) CYP2D6CCR8KCNH2USP2TSHR
Trifluoroacetic Acid SCHEMBL5428467 0.92 CCR8 (0.66) CYP2D6CCR8KCNH2USP2TSHR
Trifluoroacetic Acid SCHEMBL5431336 0.90 CCR8 (0.62) CYP2D6CCR8KCNH2USP2TSHR
Trifluoroacetic Acid SCHEMBL5433719 0.89 USP2 (0.67) CYP2D6CCR8KCNH2USP2TSHR
Trifluoroacetic Acid SCHEMBL5428508 0.88 TSHR (0.58) CYP2D6CCR8KCNH2USP2TSHR
SCHEMBL5406023 0.87 CYP2D6 (0.68) CYP2D6CCR8KCNH2USP2TSHR
SCHEMBL5401908 0.87 CCR8 (0.72) CYP2D6CCR8KCNH2USP2TSHR
Trifluoroacetic Acid SCHEMBL5434403 0.87 CYP2D6 (0.59) CYP2D6CCR8KCNH2USP2TSHR
Trifluoroacetic Acid SCHEMBL5428831 0.86 CYP2D6 (0.58) CYP2D6CCR8KCNH2USP2TSHR

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 1764/4885CCR8 1/4885KCNH2 2793/4885

“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.