Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2428006

Cc1ccncc1NC(=O)c1nc(Cl)c(N2CCCC2)nc1N.O=C(O)C(F)(F)F

nearest known ligand 0.54

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.54
PIM2 Q9P1W9 6/20 0.46
PIM1 P11309 6/20 0.46
PIM3 Q86V86 6/20 0.46
ATR Q13535 3/20 0.42
SLC9A5 Q14940 2/20 0.42
PLAU P00749 2/20 0.42
ALDH1A1 P00352 2/20 0.42
TP53 P04637 2/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
TSHR P16473 1/20 0.42
SLC9A1 P19634 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA2B P29275 1/20 0.42
CYP2C19 P33261 1/20 0.42
THPO P40225 1/20 0.42

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 SCHEMBL2429159 0.99 GRM5 (0.55) GRM5PIM2PIM1PIM3ATR
SCHEMBL12288569 0.94 GRM5 (0.59) GRM5PIM2PIM1PIM3ATR
SCHEMBL12288563 0.93 GRM5 (0.61) GRM5PIM2PIM1PIM3ATR
Trifluoroacetic Acid SCHEMBL2436371 0.92 GRM5 (0.45) GRM5PIM2PIM1PIM3ATR
SCHEMBL12288567 0.86 GRM5 (0.49) GRM5PIM2PIM1PIM3ATR
Trifluoroacetic Acid SCHEMBL2432535 0.79 ATR (0.42) GRM5ATRPLAUALDH1A1TP53
Trifluoroacetic Acid SCHEMBL2434092 0.79 HDAC6 (0.50) GRM5PIM2PIM1PIM3ATR
Trifluoroacetic Acid SCHEMBL2432097 0.78 HDAC6 (0.49) GRM5PIM2PIM1PIM3ATR
Trifluoroacetic Acid SCHEMBL2432623 0.77 HDAC6 (0.51) GRM5PIM2PIM1PIM3ATR
Trifluoroacetic Acid SCHEMBL2434892 0.76 PLAU (0.53) GRM5ATRPLAU

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-20110217265-A1 Screening for Inhibitors of HCV Amphipathic Helix (AH) Function NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-09-08 US claimed
WO-2010039195-A2 SCREENING FOR INHIBITORS OF HCV AMPHIPATHIC HELIX (AH) FUNCTION THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2010-04-08 WO claimed
US-20110217265-A1 Screening for Inhibitors of HCV Amphipathic Helix (AH) Function NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-09-08 US disclosed
WO-2010039195-A2 SCREENING FOR INHIBITORS OF HCV AMPHIPATHIC HELIX (AH) FUNCTION THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2010-04-08 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-20110217265-A1 Screening for Inhibitors of HCV Amphipathic Helix (AH) Function NSF, HAVCR2, ABHD16A GRM5 3805/4885PIM2 4471/4885PIM1 4539/4885

“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.