Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3884271

Fc1cc2c(cc1OC1CCOCC1)CNC2.O=C(O)C(F)(F)F

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CPT2 P23786 1/20 0.42
CPT1A P50416 1/20 0.42
PDE9A O76083 7/20 0.40
SYK P43405 1/20 0.39
HRH3 Q9Y5N1 1/20 0.37
KAT2B Q92831 1/20 0.36
BAZ2B Q9UIF8 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
APP P05067 1/20 0.36
PDE4D Q08499 3/20 0.35
GPR6 P46095 2/20 0.35
PDE4A P27815 2/20 0.35
PDE4B Q07343 2/20 0.35
PDE4C Q08493 2/20 0.35
GPER1 Q99527 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
SCHEMBL9882649 0.88 SYK (0.40) CPT2CPT1ASYKHRH3KAT2B
Trifluoroacetic Acid SCHEMBL3874340 0.87 SYK (0.41) PDE9ASYKKAT2BBAZ2BFFAR4
Trifluoroacetic Acid SCHEMBL3875442 0.81 GPER1 (0.41) CPT2CPT1APDE9ASYKHRH3
SCHEMBL3884274 0.75 HRH3 (0.36) CPT2CPT1APDE9ASYKHRH3
Trifluoroacetic Acid SCHEMBL3883074 0.74 KDM1A (0.34)
SCHEMBL9882642 0.72 SYK (0.40) SYKKAT2BBAZ2BPDE4DPDE4A
Trifluoroacetic Acid SCHEMBL3877058 0.71 ALDH1A1 (0.48) CPT2CPT1A
Trifluoroacetic Acid SCHEMBL31122204 0.70 ACSL1 (0.40) HRH3FFAR4APP
Trifluoroacetic Acid SCHEMBL3876344 0.70 KDM1A (0.34) GPR6
Trifluoroacetic Acid SCHEMBL3880387 0.68 AR (0.35)

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-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
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 CPT2 1964/4885CPT1A 1144/4885PDE9A 1758/4885
US-20060178381-A1 Heterocyclic-substituted phenyl methanones CYP2B6, CYP2D6, CYP1A2 CPT2 1964/4885CPT1A 1144/4885PDE9A 1758/4885

“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.