Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL310185

O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(OCc1ccccc1)N1CCN(C2CCNCC2)CC1

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
CYP2C19 P33261 1/20 0.51
TMEM97 Q5BJF2 6/20 0.49
SIGMAR1 Q99720 6/20 0.49
HTR1A P08908 2/20 0.49
HRH2 P25021 2/20 0.49
HRH1 P35367 2/20 0.49
HRH3 Q9Y5N1 2/20 0.49
ADRA2C P18825 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
HTR2C P28335 2/20 0.47
CHRM4 P08173 1/20 0.47
CHRM5 P08912 1/20 0.47
ADRA2A P08913 1/20 0.47

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
SCHEMBL519379 0.93 SMN1; SMN2 (0.60) SMN1; SMN2NPC1RAB9ACYP2C19TMEM97
SCHEMBL589097 0.86 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9ACYP2C19TMEM97
SCHEMBL26099888 0.86 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9ACYP2C19TMEM97
Trifluoroacetic Acid SCHEMBL31505451 0.86 MEN1 (0.54) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
Trifluoroacetic Acid SCHEMBL31505483 0.86 MEN1 (0.57) SMN1; SMN2NPC1RAB9ACYP2C19SIGMAR1
Trifluoroacetic Acid SCHEMBL27706408 0.86 MEN1 (0.57) SMN1; SMN2NPC1RAB9ACYP2C19SIGMAR1
Trifluoroacetic Acid SCHEMBL30488960 0.85 CACNA2D1 (0.53) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL1206723 0.83 SMN1; SMN2 (0.64) SMN1; SMN2NPC1RAB9ACYP2C19TMEM97
Trifluoroacetic Acid SCHEMBL18921614 0.83 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL30602898 0.83 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9ACYP2C19TMEM97

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2376491-B1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON INC (US) 2015-03-04 EP disclosed
US-8471005-B2 Pyrrolotriazines as ALK and JAK2 inhibitors CEPHALON, INC. (US) 2013-06-25 US disclosed
EP-2162454-B1 IMIDAZOPYRIDINE KINASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2013-01-02 EP disclosed
US-20120028919-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2012-02-02 US disclosed
US-8093239-B2 Imidazopyridine kinase inhibitors GLAXOSMITHKLINE LLC (US) 2012-01-10 US disclosed
EP-2376491-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS Cephalon, Inc. (US) 2011-10-19 EP disclosed
US-20100216779-A1 Imidazopyridine Kinase Inhibitors GLAXOSMITHKLINE LLC 2010-08-26 US disclosed
WO-2010071885-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2010-06-24 WO disclosed
EP-2162454-A1 IMIDAZOPYRIDINE KINASE INHIBITORS GlaxoSmithKline LLC (US) 2010-03-17 EP disclosed
WO-2008150799-A1 IMIDAZOPYRIDINE KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-12-11 WO disclosed
US-20080300242-A1 Imidazopyridine Kinase Inhibitors GLAXOSMITHKLINE LLC 2008-12-04 US 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 (3 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-20080300242-A1 Imidazopyridine Kinase Inhibitors ABL1, MAP3K19, MAP3K5 SMN1; SMN2 2982/4885NPC1 2713/4885RAB9A 1901/4885
US-20100216779-A1 Imidazopyridine Kinase Inhibitors ABL1, MAP3K19, MAP3K5 SMN1; SMN2 2982/4885NPC1 2713/4885RAB9A 1901/4885
US-20120028919-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS JAK2, ALK, ABL1 SMN1; SMN2 4722/4885NPC1 3543/4885RAB9A 3888/4885

“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.