Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2806920

CC(NC(=O)C1(N)CC1)c1ccc(Nc2ccc(Cl)cc2C(F)(F)F)cn1.O=C(O)C(F)(F)F

nearest known ligand 0.36

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.36
RPS6KB1 P23443 3/20 0.35
RAB9A P51151 3/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
PABPC1 P11940 1/20 0.34
KMT2A Q03164 1/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HTT P42858 1/20 0.34
PAX8 Q06710 1/20 0.34
AKT1 P31749 7/20 0.34
KCNH2 Q12809 4/20 0.34
ROCK2 O75116 3/20 0.34
AKT2 P31751 3/20 0.34
AKT3 Q9Y243 3/20 0.34
DHODH Q02127 1/20 0.33

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 SCHEMBL2806915 0.90 MEN1 (0.35) CNR2RAB9ACYP1A2CYP2D6CYP2C19
SCHEMBL2808732 0.88 CNR2 (0.37) CNR2RPS6KB1RAB9ACYP1A2CYP2D6
SCHEMBL2806917 0.84 BDKRB1 (0.47)
Trifluoroacetic Acid SCHEMBL2809036 0.81 RAB9A (0.38) CNR2RAB9ACYP1A2CYP2D6CYP2C19
SCHEMBL13128568 0.79 BDKRB1 (0.45) CNR2
SCHEMBL2808484 0.78 B3GNT2 (0.33) CNR2AKT1KCNH2CACNA1GCACNA1H
SCHEMBL2805697 0.77 RAB9A (0.41) CNR2RAB9ACYP1A2CYP2D6CYP2C19
SCHEMBL27870326 0.77 RAB9A (0.43) CNR2RAB9ACYP1A2CYP2D6CYP2C19
SCHEMBL13160642 0.77 MAPK10 (0.40) CNR2
SCHEMBL2808635 0.76 BDKRB1 (0.43) CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130131075-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-23 US disclosed
US-20100240669-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-23 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 (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-20130131075-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 CNR2 882/4885RPS6KB1 719/4885RAB9A 347/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 CNR2 882/4885RPS6KB1 719/4885RAB9A 347/4885

“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.