Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2432623

Cc1ccncc1NC(=O)c1nc(Cl)c(N(C)c2ccccc2)nc1N.O=C(O)C(F)(F)F

nearest known ligand 0.51

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.51
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
TP53 P04637 1/20 0.50
HPGD P15428 1/20 0.50
ALOX15 P16050 1/20 0.50
MAPK1 P28482 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HSD17B10 Q99714 1/20 0.50
GRM5 P41594 3/20 0.47
ATR Q13535 8/20 0.41
GSK3A P49840 1/20 0.38
CNR1 P21554 1/20 0.37
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
PIM2 Q9P1W9 3/20 0.36
PIM1 P11309 2/20 0.36
PIM3 Q86V86 2/20 0.36
CTSA P10619 1/20 0.35
PRKCA P17252 1/20 0.35

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
SCHEMBL12288580 0.95 HDAC6 (0.55) HDAC6KDM4EALDH1A1TP53HPGD
Trifluoroacetic Acid SCHEMBL2430086 0.87 HDAC6 (0.48) HDAC6KDM4EALDH1A1TP53HPGD
Trifluoroacetic Acid SCHEMBL2432097 0.86 HDAC6 (0.49) HDAC6KDM4EALDH1A1TP53HPGD
Trifluoroacetic Acid SCHEMBL2434092 0.85 HDAC6 (0.50) HDAC6KDM4EALDH1A1TP53HPGD
SCHEMBL12288566 0.81 HDAC6 (0.52) HDAC6KDM4EALDH1A1TP53HPGD
SCHEMBL3124284 0.80 HDAC6 (0.54) HDAC6KDM4EALDH1A1TP53HPGD
SCHEMBL12288568 0.79 HDAC6 (0.55) HDAC6KDM4EALDH1A1TP53HPGD
Trifluoroacetic Acid SCHEMBL2434892 0.79 PLAU (0.53) GRM5ATR
SCHEMBL12288501 0.77 TP53 (0.52) HDAC6KDM4EALDH1A1TP53HPGD
Trifluoroacetic Acid SCHEMBL2428006 0.77 GRM5 (0.54) HDAC6KDM4EALDH1A1TP53HPGD

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 3 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
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 HDAC6 1395/4885KDM4E 3652/4885ALDH1A1 2579/4885

“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.