Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5465747

C1=CNc2ccccc2C=C1.O=C(O)C(F)(F)F

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.39
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
HSD17B10 Q99714 1/20 0.34
KDM1A O60341 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
P2RX4 Q99571 2/20 0.31
NAMPT P43490 1/20 0.31
P2RX1 P51575 1/20 0.30
CPA1 P15085 1/20 0.30

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
Oxalic Acid SCHEMBL8507926 0.86 MAPT (0.39) CES1GAAMAPTNPC1RAB9A
Carbamic Acid SCHEMBL28658378 0.85 MAPT (0.38) CES1GAAMAPTNPC1RAB9A
Fumaric Acid SCHEMBL4504232 0.82 ALDH1A1 (0.37) GAAMAPTNPC1RAB9AHSD17B10
Maleic Acid SCHEMBL4504225 0.82 ALDH1A1 (0.37) GAAMAPTNPC1RAB9AHSD17B10
Citric Acid SCHEMBL164689 0.81 ALDH1A1 (0.42) MAPTHSD17B10TDP1
Cadaverine Tartrate SCHEMBL3996515 0.81 GAA (0.34) CES1GAAMAPTNPC1RAB9A
Tartaric Acid SCHEMBL30548416 0.81 GAA (0.34) CES1GAAMAPTNPC1RAB9A
Bromide SCHEMBL10654286 0.80 GAA (0.46) GAAMAPT
Water SCHEMBL16465946 0.80 GAA (0.46) GAAMAPTNPC1RAB9AHSD17B10
SCHEMBL1787947 0.80 GAA (0.46) GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070185089-A1 Benzazepine derivatives for the treatment of neurological and psychiatric disorders GLAXO GROUP LIMITED (GB) 2007-08-09 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-20070185089-A1 Benzazepine derivatives for the treatment of neurological and psychiatric disorders CNR2, GRIN2C, GRIN2B CES1 842/4885GAA 1910/4885MAPT 1504/4885

“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.