Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2993058

O=C(O)C(F)(F)F.O=C1N=C(Nc2c(Cl)cccc2Cl)SC1=Cc1cc2cccnc2cc1Cl

nearest known ligand 0.37

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DOT1L Q8TEK3 2/20 0.37
DYRK3 O43781 2/20 0.36
KMT2A Q03164 5/20 0.34
MEN1 O00255 4/20 0.34
POLB P06746 4/20 0.34
CISD1 Q9NZ45 1/20 0.34
MAPT P10636 4/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
TDP1 Q9NUW8 2/20 0.33
KDM4E B2RXH2 1/20 0.33
NSD2 O96028 1/20 0.33
APEX1 P27695 1/20 0.33
RECQL P46063 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
UBE2N P61088 1/20 0.33
CASP6 P55212 1/20 0.32
ABL1 P00519 1/20 0.32
HTT P42858 3/20 0.32
ALDH1A1 P00352 2/20 0.32
NPC1 O15118 2/20 0.32

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 SCHEMBL2993055 1.00 DOT1L (0.37) DOT1LDYRK3KMT2AMEN1POLB
SCHEMBL4587956 0.92 DYRK3 (0.41) DOT1LDYRK3KMT2AMEN1POLB
SCHEMBL5049802 0.92 DYRK3 (0.41) DOT1LDYRK3KMT2AMEN1POLB
Trifluoroacetic Acid SCHEMBL4089001 0.82 DYRK3 (0.44) DOT1LDYRK3KMT2AMEN1CISD1
Trifluoroacetic Acid SCHEMBL4089008 0.82 DYRK3 (0.44) DOT1LDYRK3KMT2AMEN1CISD1
Trifluoroacetic Acid SCHEMBL2985114 0.78 CISD1 (0.39) DYRK3KMT2AMEN1POLBCISD1
Trifluoroacetic Acid SCHEMBL2985105 0.78 CISD1 (0.39) DYRK3KMT2AMEN1POLBCISD1
Trifluoroacetic Acid SCHEMBL2990638 0.78 PIK3CA (0.43) DYRK3KMT2AMEN1POLBCISD1
Trifluoroacetic Acid SCHEMBL2990644 0.78 PIK3CA (0.43) DYRK3KMT2AMEN1POLBCISD1
Trifluoroacetic Acid SCHEMBL2992312 0.77 L3MBTL1 (0.39) DYRK3KMT2AMEN1CISD1L3MBTL1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080214455-A1 Novel Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-09-04 US claimed
EP-1879563-A4 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2008-07-16 EP claimed
EP-1879563-A2 NOVEL CHEMICAL COMPOUNDS Smithkline Beecham Corporation (US) 2008-01-23 EP claimed
WO-2006132739-A2 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-12-14 WO claimed
US-20100184774-A1 METHODS OF TREATMENT SMITHKLINE BEECHAM CORPORATION 2010-07-22 US disclosed
US-20080214455-A1 Novel Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-09-04 US disclosed
EP-1879563-A4 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2008-07-16 EP disclosed
EP-1879563-A2 NOVEL CHEMICAL COMPOUNDS Smithkline Beecham Corporation (US) 2008-01-23 EP disclosed
WO-2006132739-A2 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-12-14 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 (2 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-20080214455-A1 Novel Chemical Compounds HIPK3, HIPK1, HIPK4 DOT1L 2566/4885DYRK3 1471/4885KMT2A 3294/4885
US-20100184774-A1 METHODS OF TREATMENT OPRL1, BRCA1, PKD1 DOT1L 1740/4885DYRK3 3748/4885KMT2A 2272/4885

“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.