Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6325300

CC(=O)N1CCCC1.O=C(O)C(F)(F)F

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 4/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MLYCD O95822 1/20 0.40
USP2 O75604 2/20 0.37
CYP2C19 P33261 3/20 0.36
PIK3CD O00329 1/20 0.36
EPHX2 P34913 2/20 0.36
EPHX1 P07099 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP3A4 P08684 1/20 0.36
HIF1A Q16665 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
SCHEMBL23106 0.83
SCHEMBL1206984 0.83
Trifluoroacetic Acid SCHEMBL14157311 0.81 MLYCD (0.42) ALDH1A1MEN1KMT2AMLYCD
Trifluoroacetic Acid SCHEMBL7814309 0.81 PKM (0.49) CYP1A2TDP1SMN1; SMN2KDM4EMEN1
Benzene SCHEMBL28048640 0.80 CYP1A2 (0.52) CYP1A2TDP1SMN1; SMN2KDM4EALDH1A1
Acetic Acid SCHEMBL957951 0.80 CYP1A2 (0.52) CYP1A2TDP1SMN1; SMN2KDM4EALDH1A1
SCHEMBL60330 0.80 TDP1 (0.57) CYP1A2TDP1SMN1; SMN2KDM4EALDH1A1
SCHEMBL18228339 0.80 TDP1 (0.57) CYP1A2TDP1SMN1; SMN2KDM4EALDH1A1
SCHEMBL17901788 0.80 TDP1 (0.57) CYP1A2TDP1SMN1; SMN2KDM4EALDH1A1
SCHEMBL14506909 0.80 TDP1 (0.57) CYP1A2TDP1SMN1; SMN2KDM4EALDH1A1

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-20050020677-A1 Compounds having prolyl oligopeptidase inhibitory activity, methods for their preparation and their use ORION CORPORATION (FI) 2005-01-27 US disclosed
EP-1401810-A1 COMPOUNDS HAVING PROLYL OLIGOPEPTIDASE INHIBITORY ACTIVITY, METHODS FOR THEIR PREPARATION AND THEIR USE ORION CORPORATION (FI) 2004-03-31 EP disclosed
WO-2003004468-A1 COMPOUNDS HAVING PROLYL OLIGOPEPTIDASE INHIBITORY ACTIVITY, METHODS FOR THEIR PREPARATION AND THEIR USE ORION CORPORATION (FI) 2003-01-16 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-20050020677-A1 Compounds having prolyl oligopeptidase inhibitory activity, methods for their preparation and their use DNPEP, PREP, ANPEP CYP1A2 1398/4885TDP1 1479/4885SMN1; SMN2 2511/4885

“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.