Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4262255

O=C(O)C(F)(F)F.O=C(O)c1c2c(nn1CCCNCCc1ccc(F)cc1)-c1ccncc1CC2

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 3/20 0.38
SLC1A3 P43003 1/20 0.33
SLC1A2 P43004 1/20 0.33
SLC1A1 P43005 1/20 0.33
KCNH2 Q12809 1/20 0.33
TRPM8 Q7Z2W7 2/20 0.33
DRD4 P21917 3/20 0.32
HTR1A P08908 2/20 0.32
HTR2A P28223 2/20 0.32
HTR7 P34969 2/20 0.32
DRD3 P35462 2/20 0.32
SLC6A4 P31645 1/20 0.32
SCN5A Q14524 1/20 0.32
AURKA O14965 1/20 0.31
CCNA2 P20248 1/20 0.31
CDK2 P24941 1/20 0.31
CCNA1 P78396 1/20 0.31
ALDH1A1 P00352 2/20 0.31
KCNK3 O14649 1/20 0.31
KDM4E B2RXH2 1/20 0.31

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 SCHEMBL4270585 0.94 CDK2 (0.33) ROCK2DRD4HTR1AHTR2AHTR7
Trifluoroacetic Acid SCHEMBL1656607 0.94 CDK2 (0.36) ROCK2DRD4HTR1AHTR2AHTR7
Trifluoroacetic Acid SCHEMBL4258276 0.93 ROCK2 (0.32) ROCK2DRD4HTR1AHTR2AHTR7
Trifluoroacetic Acid SCHEMBL4271415 0.93 AURKA (0.32) ROCK2DRD4HTR1AHTR2AHTR7
Trifluoroacetic Acid SCHEMBL4264410 0.93 ROCK2 (0.37) ROCK2SLC1A3SLC1A2SLC1A1DRD4
Trifluoroacetic Acid SCHEMBL1655955 0.93 HTR5A (0.35) ROCK2DRD4HTR1AHTR2AHTR7
Trifluoroacetic Acid SCHEMBL4267640 0.93 CCNA2 (0.32) ROCK2DRD4HTR1AHTR2AHTR7
Trifluoroacetic Acid SCHEMBL1655852 0.93 AURKA (0.32) ROCK2DRD4HTR1AHTR2AHTR7
Trifluoroacetic Acid SCHEMBL4259039 0.92 HTR5A (0.38) ROCK2DRD4HTR1AHTR2AHTR7
Trifluoroacetic Acid SCHEMBL4267029 0.91 HTR5A (0.35) ROCK2DRD4HTR1AHTR2AHTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040127492-A1 Cyclic pyrazoles for the inhibition of mitogen activated protein kinase-activated protein kinase-2 PHARMACIA CORPORATION 2004-07-01 US claimed
US-9023787-B2 MAPKAP kinase-2 as a specific target for blocking proliferation of P53-defective MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2015-05-05 US disclosed
US-20140037755-A1 Mapkap Kinase-2 as a Specific Target for Blocking Proliferation of P53-Defective Cells MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2014-02-06 US disclosed
US-8440610-B2 Mapkap kinase-2 as a specific target for blocking proliferation of P53-defective cells MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2013-05-14 US disclosed
US-20120252737-A1 Methods for Diagnosing and Treating Cancer MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2012-10-04 US disclosed
US-20090181468-A1 Methods and compositions for treating cellular proliferative diseases YAFFE MICHAEL B 2009-07-16 US disclosed
US-20090010927-A1 Mapkap kinase-2 as a specific target for blocking proliferation of P53-defective cells NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-01-08 US disclosed
EP-1824498-A2 METHODS AND COMPOSITIONS FOR TREATING CELLULAR PROLIFERATIVE DISEASES THE MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2007-08-29 EP disclosed
US-20060115453-A1 Methods and compositions for treating cellular proliferative diseases NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2006-06-01 US disclosed
WO-2006053315-A2 METHODS AND COMPOSITIONS FOR TREATING CELLULAR PROLIFERATIVE DISEASES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2006-05-18 WO disclosed
US-20040127492-A1 Cyclic pyrazoles for the inhibition of mitogen activated protein kinase-activated protein kinase-2 PHARMACIA CORPORATION 2004-07-01 US 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-20060115453-A1 Methods and compositions for treating cellular proliferative diseases MKI67, TP53, CCNC ROCK2 538/4885SLC1A3 4356/4885SLC1A2 4476/4885
US-20140037755-A1 Mapkap Kinase-2 as a Specific Target for Blocking Proliferation of P53-Defective Cells MAPKAPK2, MAPKAP1, MAP3K2 ROCK2 571/4885SLC1A3 4302/4885SLC1A2 3894/4885
US-20040127492-A1 Cyclic pyrazoles for the inhibition of mitogen activated protein kinase-activated protein kinase-2 MKNK2, MAPKAPK2, MAP3K2 ROCK2 317/4885SLC1A3 4532/4885SLC1A2 3780/4885
US-20090010927-A1 Mapkap kinase-2 as a specific target for blocking proliferation of P53-defective cells MAPKAPK2, MAPKAP1, MAP3K2 ROCK2 571/4885SLC1A3 4302/4885SLC1A2 3894/4885

“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.