Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6528328

CCCCCS(=O)(=O)n1ncc2c(OC3CCNC3)cccc21.O=C(O)C(F)(F)F

nearest known ligand 0.36

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 2/20 0.33
TOP2A P11388 2/20 0.33
PDE9A O76083 5/20 0.32
HTR1A P08908 2/20 0.32
SLC6A2 P23975 2/20 0.32
CHRM1 P11229 1/20 0.32
PARP1 P09874 3/20 0.32
PARP2 Q9UGN5 3/20 0.32
MKNK1 Q9BUB5 1/20 0.32
MKNK2 Q9HBH9 1/20 0.32
SLC16A3 O15427 1/20 0.32
SLC16A1 P53985 1/20 0.32
TIPARP Q7Z3E1 1/20 0.31
NPC1 O15118 1/20 0.31
PIM1 P11309 1/20 0.31
PIM3 Q86V86 1/20 0.31
PIM2 Q9P1W9 1/20 0.31

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
Hydrochloric Acid SCHEMBL6528932 0.75 HTR6 (0.47) HSP90AB1TOP2AHTR1ASLC6A2CHRM1
SCHEMBL6495451 0.75 HTR6 (0.55) HTR1ASLC6A2TIPARPPIM1PIM2
SCHEMBL6493742 0.72 HTR1A (0.47) HTR1ASLC6A2
SCHEMBL6491883 0.70 HTR1A (0.42) HSP90AB1TOP2AHTR1ASLC6A2TIPARP
SCHEMBL6500353 0.70 HTR6 (0.51) HTR1APIM1PIM2
SCHEMBL6502181 0.69 HTR6 (0.44) HSP90AB1TOP2AHTR1ASLC6A2TIPARP
SCHEMBL6501474 0.68 ALDH1A1 (0.42) HSP90AB1TOP2A
Hydrochloric Acid SCHEMBL6408571 0.68 CYP3A4 (0.33)
SCHEMBL6495098 0.67 HTR6 (0.48) HTR1ASLC6A2PIM1PIM2
Hydrochloric Acid SCHEMBL5791114 0.66 LTA4H (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050065186-A1 Heterocyclyloxy-, -thioxy-and-aminobenzazole derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2005-03-24 US disclosed
US-6815456-B2 ANTISEROTONINE AGENTS; CENTRAL NERVOUS SYSTEM DISORDERS WYETH 2004-11-09 US disclosed
EP-1385842-A1 HETEROCYCLYLOXY-, -THIOXY- AND -AMINOBENZAZOLE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS Wyeth (US) 2004-02-04 EP disclosed
US-20030069278-A1 Heterocyclyloxy-, -thioxy- and -aminobenzazole derivatives as 5-hydroxytryptamine-6 ligands WYETH (US) 2003-04-10 US disclosed
WO-2002085892-A1 HETEROCYCLYLOXY-, -THIOXY- AND -AMINOBENZAZOLE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2002-10-31 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 (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-20050065186-A1 Heterocyclyloxy-, -thioxy-and-aminobenzazole derivatives as 5-hydroxytryptamine-6 ligands HTR6, HTR3B, HTR5A HSP90AB1 935/4885TOP2A 1276/4885PDE9A 1938/4885
US-20030069278-A1 Heterocyclyloxy-, -thioxy- and -aminobenzazole derivatives as 5-hydroxytryptamine-6 ligands HTR6, HTR3B, HTR5A HSP90AB1 766/4885TOP2A 1290/4885PDE9A 2043/4885

“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.