Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL747098

CN1C2CCC1CC(Nc1cccc(-c3cccc4[nH]ccc34)c1)C2.O=C(O)C(F)(F)F

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 6/20 0.39
HTR3E A5X5Y0 1/20 0.39
HTR3B O95264 1/20 0.39
HTR3A P46098 1/20 0.39
HTR3D Q70Z44 1/20 0.39
HTR3C Q8WXA8 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ABL1 P00519 1/20 0.39
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
CHRNA7 P36544 2/20 0.38
KCNH2 Q12809 2/20 0.38
IRAK4 Q9NWZ3 1/20 0.38
ASH1L Q9NR48 1/20 0.38
ATR Q13535 1/20 0.37
ITGB2 P05107 1/20 0.37
ICAM1 P05362 1/20 0.37

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 SCHEMBL747097 1.00 HPGDS (0.39) HPGDSHTR3EHTR3BHTR3AHTR3D
SCHEMBL748910 0.91 IRAK4 (0.43) HPGDSHTR3EHTR3BHTR3AHTR3D
SCHEMBL748909 0.91 IRAK4 (0.43) HPGDSHTR3EHTR3BHTR3AHTR3D
Fumaric Acid SCHEMBL747078 0.80 CHRNA7 (0.41) HPGDSHTR3EHTR3BHTR3AHTR3D
Fumaric Acid SCHEMBL747077 0.80 CHRNA7 (0.41) HPGDSHTR3EHTR3BHTR3AHTR3D
SCHEMBL746814 0.80 CHRNA7 (0.45) HPGDSHTR3EHTR3BHTR3AHTR3D
SCHEMBL746815 0.80 CHRNA7 (0.45) HPGDSHTR3EHTR3BHTR3AHTR3D
SCHEMBL747645 0.79 HPGDS (0.53) HPGDSABL1CHRNA7KCNH2IRAK4
SCHEMBL747644 0.79 HPGDS (0.53) HPGDSABL1CHRNA7KCNH2IRAK4
Fumaric Acid SCHEMBL745025 0.74 PTGS2 (0.40) ABL1CTSSCTSKCHRNA7KCNH2

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 6 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-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 HPGDS 655/4885HTR3E 2605/4885HTR3B 2524/4885
US-20100305089-A1 Fused Bicycloheterocycle Substituted Azabicyclic Alkane Derivatives MALT1, BMP2, ALKBH2 HPGDS 655/4885HTR3E 2605/4885HTR3B 2524/4885

“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.