Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4262256

O=C(O)C(F)(F)F.O=C1NC(CO)Cn2nc3c(c21)CCc1cnc(-c2cnc4ccccc4c2)cc1-3

nearest known ligand 0.35

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.35
PARP11 Q9NR21 1/20 0.35
MAPKAPK2 P49137 3/20 0.35
PLK4 O00444 1/20 0.34
DAPK3 O43293 1/20 0.34
DYRK3 O43781 1/20 0.34
PRKD3 O94806 1/20 0.34
MAP4K4 O95819 1/20 0.34
CHEK2 O96017 1/20 0.34
CDK1 P06493 1/20 0.34
PIM1 P11309 1/20 0.34
RPS6KB1 P23443 1/20 0.34
MAPK1 P28482 1/20 0.34
MAPK8 P45983 1/20 0.34
MAPK9 P45984 1/20 0.34
CSNK1A1 P48729 1/20 0.34
CSNK1D P48730 1/20 0.34
CLK2 P49760 1/20 0.34
IRAK1 P51617 1/20 0.34
MAPK12 P53778 1/20 0.34

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
SCHEMBL4262258 0.89 MAPKAPK2 (0.34) PARP10PARP11MAPKAPK2PLK4DAPK3
Trifluoroacetic Acid SCHEMBL6794486 0.89 PARP10 (0.35) PARP10PARP11MAPKAPK2PLK4DAPK3
SCHEMBL6792250 0.83 PARP10 (0.38) PARP10PARP11MAPKAPK2PLK4DAPK3
SCHEMBL6799047 0.79 PARP10 (0.47) PARP10PARP11MAPKAPK2PLK4DAPK3
SCHEMBL4442281 0.75 PARP10 (0.46) PARP10PARP11MAPKAPK2PLK4DAPK3
SCHEMBL6791855 0.75 MAPKAPK2 (0.33) MAPKAPK2PLK4DAPK3DYRK3PRKD3
SCHEMBL6791863 0.75 MAPKAPK2 (0.33) MAPKAPK2PLK4DAPK3DYRK3PRKD3
Trifluoroacetic Acid SCHEMBL4267121 0.74 MAPKAPK2 (0.44) MAPKAPK2MTORAURKACCNA2CDK2
Trifluoroacetic Acid SCHEMBL4270922 0.72 MAPKAPK2 (0.36) MAPKAPK2
Trifluoroacetic Acid SCHEMBL4260849 0.72 MAPKAPK2 (0.32) MAPKAPK2AURKACCNA2CDK2PLK1

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 8 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
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

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 PARP10 1234/4885PARP11 632/4885MAPKAPK2 1486/4885
US-20140037755-A1 Mapkap Kinase-2 as a Specific Target for Blocking Proliferation of P53-Defective Cells MAPKAPK2, MAPKAP1, MAP3K2 PARP10 1610/4885PARP11 1311/4885MAPKAPK2 1/4885
US-20040127492-A1 Cyclic pyrazoles for the inhibition of mitogen activated protein kinase-activated protein kinase-2 MKNK2, MAPKAPK2, MAP3K2 PARP10 1528/4885PARP11 1392/4885MAPKAPK2 2/4885
US-20090010927-A1 Mapkap kinase-2 as a specific target for blocking proliferation of P53-defective cells MAPKAPK2, MAPKAP1, MAP3K2 PARP10 1610/4885PARP11 1311/4885MAPKAPK2 1/4885

“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.