Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2304644

CNCCC(c1ccccc1)c1cccc2cn[nH]c12.O=C(O)C(F)(F)F

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 4/20 0.50
HTR2A P28223 2/20 0.42
HRH1 P35367 2/20 0.42
SLC6A2 P23975 2/20 0.40
CYP2D6 P10635 1/20 0.40
KCNH2 Q12809 1/20 0.40
PLK4 O00444 1/20 0.36
CHEK1 O14757 1/20 0.36
AURKA O14965 1/20 0.36
DAPK3 O43293 1/20 0.36
MAP4K4 O95819 1/20 0.36
CSF1R P07333 1/20 0.36
RET P07949 1/20 0.36
FGFR1 P11362 1/20 0.36
PDGFRA P16234 1/20 0.36
LTK P29376 1/20 0.36
KDR P35968 1/20 0.36
MAP2K2 P36507 1/20 0.36
FLT3 P36888 1/20 0.36
CSNK1A1 P48729 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
SCHEMBL2300716 0.90 SLC6A4 (0.60) SLC6A4HTR2AHRH1SLC6A2CYP2D6
SCHEMBL2302976 0.90 SLC6A4 (0.60) SLC6A4HTR2AHRH1SLC6A2CYP2D6
SCHEMBL2300712 0.90 SLC6A4 (0.60) SLC6A4HTR2AHRH1SLC6A2CYP2D6
SCHEMBL2304651 0.78 NLRP3 (0.36) CYP2D6PLK4CHEK1AURKADAPK3
SCHEMBL2304607 0.78 ALOX15 (0.41) PLK4CHEK1AURKADAPK3MAP4K4
SCHEMBL12427677 0.75 ROCK1 (0.39) SLC6A4PLK4CHEK1AURKADAPK3
SCHEMBL13157478 0.74 NOS1 (0.40) SLC6A4HTR2AHRH1PLK4CHEK1
SCHEMBL13157479 0.74 NOS1 (0.40) SLC6A4HTR2AHRH1PLK4CHEK1
SCHEMBL13157477 0.74 NOS1 (0.40) SLC6A4HTR2AHRH1PLK4CHEK1
SCHEMBL2305687 0.73 HTR2A (0.48) SLC6A4HTR2AHRH1SLC6A2CYP2D6

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
EP-2351737-A1 3-Amino-1-arylpropyl indoles and aza-substituted indoles F. Hoffmann-La Roche AG (CH) 2011-08-03 EP disclosed
US-7803830-B2 3-amino-1-arylpropyl indoles and AZA-substituted indoles and uses thereof ROCHE PALO ALTO LLC (US) 2010-09-28 US disclosed
US-20090099236-A1 3-Amino-1-arylpropyl indoles and AZA-substituted indoles and uses thereof ROCHE PALO ALTO LLC 2009-04-16 US disclosed
US-7446118-B2 3-amino-1-arylpropyl indoles and aza-substituted indoles and uses thereof ROCHE PALO ALTO LLC (US) 2008-11-04 US disclosed
US-20070123527-A1 3-Amino-1-arylpropyl indoles and aza-substituted indoles and uses thereof ROCHE PALO ALTO LLC 2007-05-31 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-20070123527-A1 3-Amino-1-arylpropyl indoles and aza-substituted indoles and uses thereof IDO1, RB1, AHR SLC6A4 597/4885HTR2A 118/4885HRH1 581/4885
US-20090099236-A1 3-Amino-1-arylpropyl indoles and AZA-substituted indoles and uses thereof IDO1, RB1, AHR SLC6A4 597/4885HTR2A 118/4885HRH1 581/4885

“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.