Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3579284

Clc1ccc2c(Nc3ccc4[nH]ncc4c3)nc(-c3ccco3)nc2c1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.49

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 12/20 0.49
ROCK1 Q13464 3/20 0.46
PAK4 O96013 3/20 0.46
TGFBR1 P36897 1/20 0.45
CLK2 P49760 2/20 0.44
DYRK1A Q13627 2/20 0.44
CLK4 Q9HAZ1 2/20 0.44
STK17A Q9UEE5 2/20 0.44
BLK P51451 1/20 0.44
CSNK2A1 P68400 1/20 0.44
STK3 Q13188 1/20 0.44
AURKB Q96GD4 1/20 0.44
PDE5A O76074 1/20 0.44
PRKD3 O94806 1/20 0.42
MAP4K4 O95819 1/20 0.42
RPS6KB1 P23443 1/20 0.42
PRKG1 Q13976 1/20 0.42
PRKD2 Q9BZL6 1/20 0.42
SGK2 Q9HBY8 1/20 0.42
KDM1A O60341 1/20 0.41

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 SCHEMBL3582542 0.84 ROCK2 (0.57) ROCK2ROCK1PAK4TGFBR1CLK2
Trifluoroacetic Acid SCHEMBL3587190 0.84 ROCK2 (0.56) ROCK2ROCK1PAK4TGFBR1CLK2
Trifluoroacetic Acid SCHEMBL3581271 0.84 ROCK2 (0.60) ROCK2ROCK1PAK4TGFBR1CLK2
Trifluoroacetic Acid SCHEMBL3585583 0.84 ROCK2 (0.55) ROCK2ROCK1PAK4TGFBR1CLK2
Trifluoroacetic Acid SCHEMBL3577761 0.83 ROCK2 (0.55) ROCK2ROCK1PAK4TGFBR1CLK2
Trifluoroacetic Acid SCHEMBL3584814 0.83 TGFBR1 (0.53) ROCK2ROCK1PAK4TGFBR1CLK2
Trifluoroacetic Acid SCHEMBL3590232 0.83 ROCK2 (0.64) ROCK2ROCK1CLK2DYRK1ACLK4
SCHEMBL5737274 0.81 TGFBR1 (0.55) ROCK2ROCK1TGFBR1CLK2DYRK1A
SCHEMBL3583464 0.78 ROCK2 (0.58) ROCK2ROCK1PAK4TGFBR1CLK2
Trifluoroacetic Acid SCHEMBL3580476 0.77 ROCK2 (0.60) ROCK2ROCK1PAK4TGFBR1CLK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100137324-A1 RHO-KINASE INHIBITORS NAGARATHNAM DHANAPHALAN 2010-06-03 US claimed
US-20060142313-A1 Rho-kinase inhibitors BAYER HEALTHCARE LLC 2006-06-29 US claimed
EP-1370553-B1 RHO-KINASE INHIBITORS BAYER AG (US) 2006-05-10 EP claimed
EP-1370553-A2 RHO-KINASE INHIBITORS Bayer Corporation (US) 2003-12-17 EP claimed
US-20030125344-A1 Preferrably (indazol-5-yl)-4-quinazolinamine derivatives; antitumor agents, treating erectile dysfunction, and coronary heart disease BAYER CORPORATION 2003-07-03 US claimed
WO-2002076976-A2 RHO-KINASE INHIBITORS BAYER CORPORATION (US) 2002-10-03 WO claimed
US-20100137324-A1 RHO-KINASE INHIBITORS NAGARATHNAM DHANAPHALAN 2010-06-03 US disclosed
US-20090036465-A1 COMBINATION THERAPY FOR PULMONARY ARTERIAL HYPERTENSION UNITED THERAPEUTICS CORPORATION 2009-02-05 US disclosed
WO-2008049000-A2 COMBINATION THERAPY FOR PULMONARY ARTERIAL HYPERTENSION UNITED THERAPEUTICS CORPORATION (US) 2008-04-24 WO disclosed
US-20060142313-A1 Rho-kinase inhibitors BAYER HEALTHCARE LLC 2006-06-29 US disclosed
EP-1370553-B1 RHO-KINASE INHIBITORS BAYER AG (US) 2006-05-10 EP disclosed
EP-1370553-A2 RHO-KINASE INHIBITORS Bayer Corporation (US) 2003-12-17 EP disclosed
US-20030125344-A1 Preferrably (indazol-5-yl)-4-quinazolinamine derivatives; antitumor agents, treating erectile dysfunction, and coronary heart disease BAYER CORPORATION 2003-07-03 US disclosed
WO-2002076976-A2 RHO-KINASE INHIBITORS BAYER CORPORATION (US) 2002-10-03 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 (4 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-20060142313-A1 Rho-kinase inhibitors CIT, ROCK1, ROCK2 ROCK2 3/4885ROCK1 2/4885PAK4 178/4885
US-20030125344-A1 Preferrably (indazol-5-yl)-4-quinazolinamine derivatives; antitumor agents, treating erectile dysfunction, and coronary heart disease CIT, PDE3A, PDE2A ROCK2 8/4885ROCK1 6/4885PAK4 351/4885
US-20100137324-A1 RHO-KINASE INHIBITORS CIT, ROCK1, ROCK2 ROCK2 3/4885ROCK1 2/4885PAK4 178/4885
US-20090036465-A1 COMBINATION THERAPY FOR PULMONARY ARTERIAL HYPERTENSION ROCK1, ROCK2, RHOA ROCK2 2/4885ROCK1 1/4885PAK4 414/4885

“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.