Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3585583

Clc1ccc2c(Nc3ccc4[nH]ncc4c3)nc(-c3cccnc3)nc2c1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.55

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 10/20 0.55
ROCK1 Q13464 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
KDM4E B2RXH2 2/20 0.48
MAPT P10636 2/20 0.48
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 2/20 0.48
TSHR P16473 2/20 0.48
HPGD P15428 1/20 0.48
MAPK1 P28482 1/20 0.48
CYP2C19 P33261 1/20 0.48
HSD17B10 Q99714 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
CLK4 Q9HAZ1 2/20 0.48
CLK2 P49760 1/20 0.48
BLK P51451 1/20 0.48
CSNK2A1 P68400 1/20 0.48
STK3 Q13188 1/20 0.48
DYRK1A Q13627 1/20 0.48
AURKB Q96GD4 1/20 0.48

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
SCHEMBL6925655 0.91 ROCK2 (0.54) ROCK2ROCK1L3MBTL1KDM4EMAPT
Trifluoroacetic Acid SCHEMBL3581668 0.90 ROCK2 (0.55) ROCK2ROCK1L3MBTL1KDM4EMAPT
Trifluoroacetic Acid SCHEMBL3582542 0.89 ROCK2 (0.57) ROCK2ROCK1CLK4CLK2BLK
Trifluoroacetic Acid SCHEMBL3577761 0.88 ROCK2 (0.55) ROCK2ROCK1CLK4CLK2BLK
Trifluoroacetic Acid SCHEMBL3587190 0.87 ROCK2 (0.56) ROCK2ROCK1CLK4CLK2BLK
Trifluoroacetic Acid SCHEMBL3590232 0.86 ROCK2 (0.64) ROCK2ROCK1CLK4CLK2BLK
SCHEMBL3583464 0.84 ROCK2 (0.58) ROCK2ROCK1KDM4ECLK4CLK2
Trifluoroacetic Acid SCHEMBL3579284 0.84 ROCK2 (0.49) ROCK2ROCK1CLK4CLK2BLK
Trifluoroacetic Acid SCHEMBL3581271 0.84 ROCK2 (0.60) ROCK2ROCK1MAPTCLK4CLK2
Trifluoroacetic Acid SCHEMBL3584814 0.83 TGFBR1 (0.53) ROCK2ROCK1CLK4CLK2BLK

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 2/4885L3MBTL1 3311/4885
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 6/4885L3MBTL1 2990/4885
US-20100137324-A1 RHO-KINASE INHIBITORS CIT, ROCK1, ROCK2 ROCK2 3/4885ROCK1 2/4885L3MBTL1 3311/4885
US-20090036465-A1 COMBINATION THERAPY FOR PULMONARY ARTERIAL HYPERTENSION ROCK1, ROCK2, RHOA ROCK2 2/4885ROCK1 1/4885L3MBTL1 4366/4885

“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.