Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL746923

CN1C2CCC1CC(Nc1ccc(-c3ccc4sccc4c3)cc1)C2.O=C(O)C(F)(F)F

nearest known ligand 0.55

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.40
CHRNA7 P36544 4/20 0.38
KCNH2 Q12809 4/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
MDM2 Q00987 2/20 0.37
LTA4H P09960 2/20 0.37
CSNK2A1 P68400 1/20 0.36
CA2 P00918 2/20 0.36
CA12 O43570 2/20 0.36
ENPP1 P22413 1/20 0.36
DYRK1A Q13627 2/20 0.35
GSK3B P49841 1/20 0.35
WNT1 P04628 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
Trifluoroacetic Acid SCHEMBL746922 1.00 BRD4 (0.40) BRD4CHRNA7KCNH2MEN1KMT2A
SCHEMBL744637 0.90 CHRNA7 (0.45) BRD4CHRNA7KCNH2CA2CA12
SCHEMBL746377 0.90 CHRNA7 (0.45) BRD4CHRNA7KCNH2CA2CA12
Trifluoroacetic Acid SCHEMBL990814 0.74 CHRNA7 (0.46) CHRNA7KCNH2MDM2CSNK2A1
Trifluoroacetic Acid SCHEMBL990815 0.74 CHRNA7 (0.46) CHRNA7KCNH2MDM2CSNK2A1
Trifluoroacetic Acid SCHEMBL748480 0.71 CHRNA7 (0.44) CHRNA7KCNH2MDM2CSNK2A1
Trifluoroacetic Acid SCHEMBL748481 0.71 CHRNA7 (0.44) CHRNA7KCNH2MDM2CSNK2A1
Fumaric Acid SCHEMBL748371 0.70 CCNC (0.43) CHRNA7KCNH2LTA4H
Fumaric Acid SCHEMBL748370 0.70 CCNC (0.43) CHRNA7KCNH2LTA4H
Fumaric Acid SCHEMBL746341 0.69 PTGS2 (0.45) CHRNA7KCNH2DYRK1AGSK3B

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-B1 CNS active fused bicycloheterocycle substituted azabicyclic alkane derivatives ABBVIE BAHAMAS LTD (BS) 2014-08-27 EP disclosed
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-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 (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-20080045539-A1 FUSED BICYCLOHETEROCYCLE SUBSTITUTED AZABICYCLIC ALKANE DERIVATIVES MALT1, BMP2, ALKBH2 BRD4 192/4885CHRNA7 2776/4885KCNH2 708/4885

“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.