Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3874340

Clc1cc2c(cc1OC1CCOCC1)CNC2.O=C(O)C(F)(F)F

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.41
PDE9A O76083 11/20 0.40
KAT2B Q92831 1/20 0.36
BAZ2B Q9UIF8 1/20 0.36
SCN9A Q15858 1/20 0.35
PDE4D Q08499 3/20 0.34
PDE4A P27815 2/20 0.34
PDE4B Q07343 2/20 0.34
PDE4C Q08493 2/20 0.34
KMO O15229 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34

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
SCHEMBL9882642 0.87 SYK (0.40) SYKKAT2BBAZ2BPDE4DPDE4A
Trifluoroacetic Acid SCHEMBL3884271 0.87 CPT2 (0.42) SYKPDE9AKAT2BBAZ2BPDE4D
Trifluoroacetic Acid SCHEMBL3875442 0.80 GPER1 (0.41) SYKPDE9AFFAR4
Trifluoroacetic Acid SCHEMBL3876344 0.79 KDM1A (0.34)
SCHEMBL3874343 0.76 SYK (0.37) SYKPDE9AKAT2BBAZ2BSCN9A
Trifluoroacetic Acid SCHEMBL3871426 0.75 PRKAB2 (0.36)
SCHEMBL9882649 0.74 SYK (0.40) SYKKAT2BBAZ2BPDE4DPDE4A
Trifluoroacetic Acid SCHEMBL3883074 0.73 KDM1A (0.34)
SCHEMBL3871351 0.70 TBK1 (0.41) PDE4DPDE4APDE4BPDE4C
Trifluoroacetic Acid SCHEMBL31122204 0.69 ACSL1 (0.40) FFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8188139-B2 Heterocyclic-substituted phenyl methanones HOFFMAN-LA ROCHE INC. (US) 2012-05-29 US disclosed
EP-1848694-B1 HETEROCYCLIC SUBSTITUTED PHENYL METHANONES AS INHIBITORS OF THE GLYCINE TRANSPORTER 1 HOFFMANN LA ROCHE (CH) 2009-11-25 EP disclosed
US-20090203665-A1 HETEROCYCLIC-SUBSTITUTED PHENYL METHANONES JOLIDON SYNESE 2009-08-13 US disclosed
US-7557114-B2 Heterocyclic-substituted phenyl methanones HOFFMAN-LA ROCHE INC. (US) 2009-07-07 US disclosed
EP-1848694-A1 HETEROCYCLIC SUBSTITUTED PHENYL METHANONES AS INHIBITORS OF THE GLYCINE TRANSPORTER 1 F. Hoffmann-Roche AG (CH) 2007-10-31 EP disclosed
WO-2006082001-A1 HETEROCYCLIC SUBSTITUTED PHENYL METHANONES AS INHIBITORS OF THE GLYCINE TRANSPORTER 1 F.HOFFMANN-LA ROCHE AG (CH) 2006-08-10 WO disclosed
US-20060178381-A1 Heterocyclic-substituted phenyl methanones HOFFMANN-LA ROCHE INC. 2006-08-10 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-20090203665-A1 HETEROCYCLIC-SUBSTITUTED PHENYL METHANONES CYP2B6, CYP2D6, CYP1A2 SYK 3889/4885PDE9A 1758/4885KAT2B 1846/4885
US-20060178381-A1 Heterocyclic-substituted phenyl methanones CYP2B6, CYP2D6, CYP1A2 SYK 3889/4885PDE9A 1758/4885KAT2B 1846/4885

“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.