Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL828477

NCC(=O)Nc1ccc2cc(-c3ccccc3)[nH]c(=O)c2c1.O=C(O)C(F)(F)F

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.47
PDPK1 O15530 1/20 0.40
TERT O14746 1/20 0.39
ROCK2 O75116 2/20 0.39
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
PARP1 P09874 4/20 0.38
TNKS O95271 2/20 0.38
PARP15 Q460N3 1/20 0.38
PARP14 Q460N5 1/20 0.38
PARP10 Q53GL7 1/20 0.38
PARP12 Q9H0J9 1/20 0.38
TNKS2 Q9H2K2 1/20 0.38
PARP2 Q9UGN5 1/20 0.38
PARP4 Q9UKK3 1/20 0.38
PARP3 Q9Y6F1 1/20 0.38
MAPT P10636 2/20 0.37
TP53 P04637 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 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
SCHEMBL824677 0.93 PDE10A (0.52) PDE10ATERTROCK2ITGB3ITGA2B
Trifluoroacetic Acid SCHEMBL828226 0.86 PARP1 (0.38) PDE10AITGB3ITGA2BPARP1TNKS
SCHEMBL824730 0.83 PDE10A (0.53) PDE10AROCK2PARP1TNKSPARP15
SCHEMBL824676 0.82 ALDH1A1 (0.52) PDE10AROCK2PARP1TNKSPARP15
SCHEMBL10225954 0.81 PDE10A (0.43) PDE10AROCK2PARP1TNKSTNKS2
SCHEMBL824936 0.81 MAPT (0.58) PDE10AMAPTMEN1POLBKMT2A
SCHEMBL2712131 0.80 PDE10A (0.48) PDE10APARP1TNKSTNKS2MAPT
SCHEMBL2712188 0.80 PDE10A (0.50) PDE10AROCK2PARP1TNKSPARP15
SCHEMBL824674 0.79 CYP2C19 (0.55) PDE10APARP1TNKSPARP15PARP14
SCHEMBL824750 0.79 PARP1 (0.61) PDE10APARP1TNKSPARP15PARP14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1724262-B1 1-(2H)-ISOQUINOLONE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2012-05-02 EP disclosed
US-8143274-B2 1-(2H)-isoquinolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-03-27 US disclosed
US-20070185160-A1 1-(2H)-isoquinolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2007-08-09 US disclosed
EP-1724262-A1 1-(2H)-ISOQUINOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2006-11-22 EP 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-20070185160-A1 1-(2H)-isoquinolone derivative NR3C2, NR1H4, NR3C1 PDE10A 3212/4885PDPK1 4392/4885TERT 4776/4885

“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.