Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5439733

CC(C)COc1ccccc1CN1CCC2(CCN(C(=O)Cc3ccc(S(C)(=O)=O)cc3)CC2)C1.O=C(O)C(F)(F)F

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 2/20 0.50
KCNH2 Q12809 2/20 0.50
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TSHR P16473 7/20 0.43
CYP3A4 P08684 7/20 0.43
HIF1A Q16665 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALOX15 P16050 1/20 0.43
CYP2C19 P33261 1/20 0.43
GHSR Q92847 2/20 0.42
CYP2D6 P10635 10/20 0.42
CYP1A2 P05177 3/20 0.42
USP2 O75604 3/20 0.42
ALDH1A1 P00352 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.41

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 SCHEMBL5430869 0.95 CCR8 (0.52) CCR8KCNH2TSHRCYP3A4HIF1A
SCHEMBL5399596 0.95 CCR8 (0.54) CCR8KCNH2MEN1KMT2ATSHR
Trifluoroacetic Acid SCHEMBL5433618 0.90 CCR8 (0.53) CCR8KCNH2MEN1KMT2ATSHR
SCHEMBL5396042 0.90 CCR8 (0.56) CCR8KCNH2MEN1KMT2ATSHR
Trifluoroacetic Acid SCHEMBL5437579 0.90 CCR8 (0.52) CCR8KCNH2MEN1KMT2ATSHR
Trifluoroacetic Acid SCHEMBL5434664 0.90 CCR8 (0.52) CCR8KCNH2MEN1KMT2ATSHR
Trifluoroacetic Acid SCHEMBL5434649 0.89 CCR8 (0.62) CCR8KCNH2TSHRCYP3A4HIF1A
Trifluoroacetic Acid SCHEMBL5425767 0.88 CCR8 (0.49) CCR8KCNH2MEN1KMT2ATSHR
Trifluoroacetic Acid SCHEMBL5442840 0.88 CCR8 (0.51) CCR8KCNH2MEN1KMT2ATSHR
Trifluoroacetic Acid SCHEMBL5437620 0.87 CCR8 (0.49) CCR8KCNH2MEN1KMT2ATSHR

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 CCR8 1/4885KCNH2 2793/4885MEN1 3750/4885

“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.