Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL743398

O=C(O)C(F)(F)F.c1cc(-c2ccc(OC3CC4CCC(C3)N4)cn2)c2cc[nH]c2c1

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 14/20 0.40
SLC6A2 P23975 11/20 0.40
SLC6A3 Q01959 9/20 0.40
ABL1 P00519 2/20 0.38
BCR P11274 1/20 0.38
CHRNA7 P36544 2/20 0.36
PIK3CA P42336 1/20 0.35
MTOR P42345 1/20 0.35
PRKCA P17252 1/20 0.35
FLT3 P36888 1/20 0.35
HTR2B P41595 1/20 0.35
GSK3B P49841 1/20 0.35
PRKCQ Q04759 1/20 0.35
KCNH2 Q12809 1/20 0.35

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
SCHEMBL747203 0.90 SLC6A4 (0.44) SLC6A4SLC6A2SLC6A3ABL1BCR
Trifluoroacetic Acid SCHEMBL747038 0.86 CHRNA7 (0.42) SLC6A4SLC6A2SLC6A3ABL1BCR
SCHEMBL745851 0.75 CHRNA7 (0.49) SLC6A4SLC6A2SLC6A3CHRNA7PIK3CA
Trifluoroacetic Acid SCHEMBL20958333 0.72 SLC6A4 (0.73) SLC6A4SLC6A2SLC6A3CHRNA7
Trifluoroacetic Acid SCHEMBL20958365 0.72 SLC6A4 (0.73) SLC6A4SLC6A2SLC6A3CHRNA7
Trifluoroacetic Acid SCHEMBL20958475 0.70 SLC6A4 (0.56) SLC6A4SLC6A2SLC6A3CHRNA7
Trifluoroacetic Acid SCHEMBL20958322 0.69 SLC6A4 (0.58) SLC6A4SLC6A2SLC6A3CHRNA7
Trifluoroacetic Acid SCHEMBL20958538 0.69 SLC6A4 (0.73) SLC6A4SLC6A2SLC6A3CHRNA7
Trifluoroacetic Acid SCHEMBL20958428 0.69 SLC6A4 (0.55) SLC6A4SLC6A2SLC6A3CHRNA7
Trifluoroacetic Acid SCHEMBL1110457 0.69 CHRNA7 (0.39) SLC6A4SLC6A2SLC6A3CHRNA7PIK3CA

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-2431368-A1 CNS active fused bicycloheterocycle substituted azabicyclic alkane derivatives Abbott Laboratories (US) 2012-03-21 EP disclosed
EP-2018380-B1 Cns active fused bicycloheterocycle substituted azabicyclic alkane derivatives ABBOTT LAB (US) 2011-10-19 EP disclosed
US-7872017-B2 Fused bicycloheterocycle substituted azabicyclic alkane derivatives ABBOTT LABORATORIES (US) 2011-01-18 US disclosed
US-20100305089-A1 Fused Bicycloheterocycle Substituted Azabicyclic Alkane Derivatives ABBOTT LABORATORIES (US) 2010-12-02 US disclosed
US-20080045539-A1 FUSED BICYCLOHETEROCYCLE SUBSTITUTED AZABICYCLIC ALKANE DERIVATIVES ABBVIE INC. 2008-02-21 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-20080045539-A1 FUSED BICYCLOHETEROCYCLE SUBSTITUTED AZABICYCLIC ALKANE DERIVATIVES MALT1, BMP2, ALKBH2 SLC6A4 3130/4885SLC6A2 2602/4885SLC6A3 2587/4885
US-20100305089-A1 Fused Bicycloheterocycle Substituted Azabicyclic Alkane Derivatives MALT1, BMP2, ALKBH2 SLC6A4 3130/4885SLC6A2 2602/4885SLC6A3 2587/4885

“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.