Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1938242

CN[C@H]1CC[C@H](Nc2nc(OC)c(C(N)=O)cc2F)CC1.O=C(O)C(F)(F)F

nearest known ligand 0.73

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.73
ROCK1 Q13464 1/20 0.73
WHR1 P49842 2/20 0.40
EHMT2 Q96KQ7 1/20 0.40
KIT P10721 1/20 0.40
FLT3 P36888 1/20 0.40
GPR6 P46095 9/20 0.39
SYK P43405 2/20 0.39
MAPK8 P45983 4/20 0.38
MAPK9 P45984 1/20 0.38

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
SCHEMBL12489141 0.94 ROCK2 (0.83) ROCK2ROCK1KITFLT3SYK
SCHEMBL3627383 0.85 ROCK2 (0.79) ROCK2ROCK1KITFLT3SYK
SCHEMBL3627381 0.85 ROCK2 (0.79) ROCK2ROCK1KITFLT3SYK
SCHEMBL1935855 0.85 ROCK2 (1.00) ROCK2ROCK1KITFLT3SYK
SCHEMBL1935856 0.85 ROCK2 (1.00) ROCK2ROCK1KITFLT3SYK
Hydrochloric Acid SCHEMBL1937616 0.84 ROCK2 (0.98) ROCK2ROCK1KITFLT3SYK
Hydrochloric Acid SCHEMBL1937617 0.84 ROCK2 (0.98) ROCK2ROCK1KITFLT3SYK
SCHEMBL1938209 0.82 ROCK2 (0.78) ROCK2ROCK1KITFLT3SYK
SCHEMBL1938207 0.82 ROCK2 (0.78) ROCK2ROCK1KITFLT3SYK
SCHEMBL3622725 0.81 ROCK2 (0.73) ROCK2ROCK1KITFLT3SYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110166161-A1 HETEROCYCLIC CARBOXAMIDE COMPOUNDS ASTELLAS PHARMA INC. (JP) 2011-07-07 US disclosed
EP-2331507-A2 HETEROCYCLIC CARBOXAMIDE COMPOUNDS Astellas Pharma Inc. (JP) 2011-06-15 EP disclosed
WO-2010032875-A2 HETEROCYCLIC CARBOXAMIDE COMPOUNDS ASTELLAS PHARMA INC. (JP) 2010-03-25 WO 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-20110166161-A1 HETEROCYCLIC CARBOXAMIDE COMPOUNDS ROCK1, ROCK2, RHOT2 ROCK2 2/4885ROCK1 1/4885WHR1 4402/4885

“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.