Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL446840

CN(C(=O)n1cnc(-c2cccnc2)c1)C1CCNCC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.48
CES2 O00748 1/20 0.48
MET P08581 2/20 0.42
DYRK1A Q13627 2/20 0.41
CYP2E1 P05181 3/20 0.40
CYP2A6 P11509 3/20 0.40
CYP2C9 P11712 3/20 0.40
CYP2B6 P20813 3/20 0.40
CYP2C19 P33261 3/20 0.40
DPP4 P27487 1/20 0.39
DPP7 Q9UHL4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CYP3A4 P08684 2/20 0.38
PLAT P00750 1/20 0.38
PIM1 P11309 2/20 0.37
MKNK1 Q9BUB5 1/20 0.37
MKNK2 Q9HBH9 1/20 0.37
WNT1 P04628 1/20 0.36
KCNH2 Q12809 2/20 0.36
KIF11 P52732 1/20 0.36

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
SCHEMBL424221 0.93 FAAH (0.54) FAAHCES2DYRK1ACYP2E1CYP2A6
SCHEMBL427429 0.86 FAAH (0.59) FAAHCES2KCNH2KIF11CYP2D6
SCHEMBL426094 0.84 FAAH (0.66) FAAHCES2DYRK1ACYP2E1CYP2A6
SCHEMBL424140 0.83 FAAH (0.67) FAAHCES2DYRK1ACYP2E1CYP2A6
SCHEMBL427890 0.82 FAAH (0.55) FAAHCES2DYRK1ACYP2E1CYP2A6
SCHEMBL427343 0.81 FAAH (0.54) FAAHCES2DYRK1ACYP2E1CYP2A6
SCHEMBL427505 0.79 FAAH (0.52) FAAHCES2DYRK1ACYP2E1CYP2A6
SCHEMBL16433307 0.79 FAAH (0.54) FAAHCES2MKNK1MKNK2KCNH2
SCHEMBL427509 0.79 FAAH (0.50) FAAHCES2DYRK1ACYP2E1CYP2A6
SCHEMBL424938 0.79 FAAH (0.52) FAAHCES2DYRK1ACYP2E1CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9353082-B2 Pharmaceutical compounds BIAL—PORTELA & CA, S.A. (PT) 2016-05-31 US disclosed
US-20120065191-A1 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2012-03-15 US disclosed
EP-2382012-A2 PHARMACEUTICAL COMPOUNDS Bial-Portela & CA, S.A. (PT) 2011-11-02 EP disclosed
WO-2010074588-A2 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2010-07-01 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-20120065191-A1 PHARMACEUTICAL COMPOUNDS FAAH, FAAH2, ASAH1 FAAH 1/4885CES2 62/4885MET 3722/4885

“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.