Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1695283

Cc1cc(C2CCCCC2)c(CN)c(=O)[nH]1.O=C(O)C(F)(F)F

nearest known ligand 0.37

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EZH2 Q15910 3/20 0.37
HSD17B1 P14061 1/20 0.35
HSD17B2 P37059 1/20 0.35
PTGDR2 Q9Y5Y4 3/20 0.35
CHEK1 O14757 4/20 0.34
EZH1 Q92800 1/20 0.34
JAK2 O60674 3/20 0.33
JAK1 P23458 3/20 0.33
TYK2 P29597 3/20 0.33
JAK3 P52333 3/20 0.33
LNPEP Q9UIQ6 1/20 0.33
KDM4E B2RXH2 2/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.32
ALOX12 P18054 1/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HIF1A Q16665 1/20 0.32
TDP1 Q9NUW8 1/20 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
SCHEMBL1695129 0.89 CHEK1 (0.39) EZH2CHEK1JAK2JAK1TYK2
SCHEMBL2591769 0.85 KDM4E (0.36) EZH2CHEK1EZH1JAK2JAK1
SCHEMBL1694829 0.82 KDM4E (0.38) EZH2CHEK1JAK2JAK1TYK2
Hydrochloric Acid SCHEMBL1695100 0.80 KDM4E (0.37) EZH2CHEK1JAK2JAK1TYK2
Trifluoroacetic Acid SCHEMBL22470860 0.78 ALDH1A1 (0.41) EZH2KDM4EMAPK1PKM
SCHEMBL14727106 0.72 KDM4E (0.41) EZH2JAK2JAK1TYK2JAK3
SCHEMBL14717544 0.71 KDM4E (0.38) EZH2EZH1KDM4ELMNAMAPK1
SCHEMBL17970546 0.69 EZH2 (0.39) EZH2CHEK1EZH1JAK2JAK1
SCHEMBL1695286 0.69 CHEK1 (0.34) PTGDR2CHEK1KDM4ELMNATP53
SCHEMBL9887625 0.68 EZH2 (0.45) EZH2EZH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9073924-B2 Azaindazoles GLAXOSMITHKLINE LLC (US) 2015-07-07 US disclosed
EP-2566479-B1 AZAINDAZOLES GLAXOSMITHKLINE LLC (US) 2014-12-24 EP disclosed
US-20140343056-A1 AZAINDAZOLES GLAXOSMITHKLINE LLC (US) 2014-11-20 US disclosed
US-8637509-B2 Azaindazoles GLAXOSMITHKLINE LLC (US) 2014-01-28 US disclosed
WO-2013067302-A1 METHOD OF TREATMENT GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2013-05-10 WO disclosed
EP-2566479-A1 AZAINDAZOLES GlaxoSmithKline LLC (US) 2013-03-13 EP disclosed
US-20130059849-A1 AZAINDAZOLES GLAXOSMITHKLINE LLC 2013-03-07 US disclosed
WO-2012005805-A1 AZAINDAZOLES GLAXOSMITHKLINE LLC (US) 2012-01-12 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-20140343056-A1 AZAINDAZOLES AZI2, MKI67, DNMT1 EZH2 58/4885HSD17B1 215/4885HSD17B2 116/4885
US-20130059849-A1 AZAINDAZOLES AZI2, MKI67, DNMT1 EZH2 58/4885HSD17B1 215/4885HSD17B2 116/4885

“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.