Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6072041

NC(=O)c1cccc(C(F)(F)F)c1.O=C(O)C(F)(F)F

nearest known ligand 0.64

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.62
SRD5A2 P31213 1/20 0.57
LMNA P02545 2/20 0.54
MAOB P27338 2/20 0.51
KCNK3 O14649 1/20 0.51
PTGS1 P23219 3/20 0.50
KMT2A Q03164 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
P2RX1 P51575 1/20 0.50
PARP1 P09874 1/20 0.50
KIF11 P52732 1/20 0.49
POLB P06746 1/20 0.49
HPGD P15428 1/20 0.49
AURKA O14965 1/20 0.48

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
Benzene SCHEMBL28007804 0.95 CES2 (0.69) CES2SRD5A2LMNAMAOBKCNK3
SCHEMBL27621589 0.93 CES2 (0.71) CES2SRD5A2LMNAMAOBPTGS1
SCHEMBL171684 0.93 CES2 (0.71) CES2SRD5A2LMNAMAOBPTGS1
Water SCHEMBL28050254 0.91 CES2 (0.69) CES2SRD5A2LMNAMAOBPTGS1
Hydrochloric Acid SCHEMBL4372373 0.91 CES2 (0.69) CES2SRD5A2LMNAMAOBPTGS1
Hydrochloric Acid SCHEMBL1267321 0.91 CES2 (0.69) CES2SRD5A2LMNAMAOBPTGS1
Acetic Acid SCHEMBL10340449 0.90 CES2 (0.62) CES2SRD5A2LMNAMAOBKCNK3
Trifluoroacetic Acid SCHEMBL10277408 0.87 PARP1 (0.59) PARP1KIF11POLB
Trifluoroacetic Acid SCHEMBL29713373 0.87 PARP1 (0.59) PARP1KIF11POLB
Formic Acid SCHEMBL29537369 0.86 CES2 (0.62) CES2SRD5A2LMNAMAOBPTGS1

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-20060241149-A1 Chemical compounds ADAMS JERRY L 2006-10-26 US disclosed
EP-1581514-A2 CHEMICAL COMPOUNDS SmithKline Beecham Corporation (US) 2005-10-05 EP disclosed
WO-2004043379-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2004-05-27 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-20060241149-A1 Chemical compounds CHKB, MAP3K20, MAP3K6 CES2 398/4885SRD5A2 2103/4885LMNA 2570/4885

“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.