Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5404490

NC1CCC(NC(=O)c2ccc3[nH]ncc3c2)CC1.O=C(O)C(F)(F)F

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 17/20 0.58
MAPK14 Q16539 1/20 0.58
ROCK2 O75116 1/20 0.57
ROCK1 Q13464 1/20 0.57

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 SCHEMBL5404493 1.00 SMYD3 (0.58) SMYD3MAPK14ROCK2ROCK1
SCHEMBL5407984 0.86 MAPK14 (0.72) SMYD3MAPK14ROCK2ROCK1
SCHEMBL5415168 0.82 MAPK14 (0.67) SMYD3MAPK14ROCK2ROCK1
SCHEMBL5415165 0.82 MAPK14 (0.67) SMYD3MAPK14ROCK2ROCK1
SCHEMBL5412477 0.81 MAPK14 (0.66) SMYD3MAPK14ROCK2ROCK1
SCHEMBL5405456 0.81 MAPK14 (0.66) SMYD3MAPK14ROCK2ROCK1
SCHEMBL5415020 0.81 MAPK14 (0.69) SMYD3MAPK14ROCK2ROCK1
SCHEMBL5410247 0.81 MAPK14 (0.69) SMYD3MAPK14ROCK2ROCK1
SCHEMBL5414865 0.81 MAPK14 (0.65) SMYD3MAPK14ROCK2ROCK1
SCHEMBL5407541 0.81 MAPK14 (0.65) SMYD3MAPK14ROCK2ROCK1

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-7199147-B2 Rho kinase inhibitors DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-04-03 US disclosed
US-20040138286-A1 Rho kinase inhibitors DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2004-07-15 US disclosed
EP-1403255-A1 Rho KINASE INHIBITORS SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2004-03-31 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-20040138286-A1 Rho kinase inhibitors ROCK1, ROCK2, ARHGDIA SMYD3 2066/4885MAPK14 156/4885ROCK2 2/4885

“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.