Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1655852

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

nearest known ligand 0.32

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AURKA O14965 2/20 0.32
CCNA2 P20248 2/20 0.32
CDK2 P24941 2/20 0.32
CCNA1 P78396 2/20 0.32
ROCK2 O75116 3/20 0.32
HTR1A P08908 1/20 0.30
DRD2 P14416 1/20 0.30
DRD4 P21917 1/20 0.30
HTR1D P28221 1/20 0.30
HTR1B P28222 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
HTR7 P34969 1/20 0.30
ADRA1B P35368 1/20 0.30
DRD3 P35462 1/20 0.30
HTR2B P41595 1/20 0.30
HTR5A P47898 1/20 0.30

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 SCHEMBL1656593 0.97 ROCK2 (0.33) AURKACCNA2CDK2CCNA1ROCK2
SCHEMBL5484987 0.95 ROCK2 (0.34) AURKACCNA2CDK2CCNA1ROCK2
Trifluoroacetic Acid SCHEMBL4270585 0.94 CDK2 (0.33) AURKACCNA2CDK2CCNA1ROCK2
Trifluoroacetic Acid SCHEMBL4262255 0.93 ROCK2 (0.38) AURKACCNA2CDK2CCNA1ROCK2
Trifluoroacetic Acid SCHEMBL1656607 0.93 CDK2 (0.36) AURKACCNA2CDK2CCNA1ROCK2
Trifluoroacetic Acid SCHEMBL4264410 0.92 ROCK2 (0.37) AURKACCNA2CDK2CCNA1ROCK2
Trifluoroacetic Acid SCHEMBL4271415 0.92 AURKA (0.32) AURKACCNA2CDK2CCNA1ROCK2
Trifluoroacetic Acid SCHEMBL4267640 0.92 CCNA2 (0.32) AURKACCNA2CDK2CCNA1ROCK2
Trifluoroacetic Acid SCHEMBL4258276 0.92 ROCK2 (0.32) AURKACCNA2CDK2CCNA1ROCK2
Trifluoroacetic Acid SCHEMBL1655955 0.92 HTR5A (0.35) AURKACCNA2CDK2CCNA1ROCK2

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-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
WO-2011041784-A1 METHODS FOR DIAGNOSING AND TREATING CANCER MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2011-04-07 WO 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
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 (3 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 AURKA 1218/4885CCNA2 11/4885CDK2 29/4885
US-20040127492-A1 Cyclic pyrazoles for the inhibition of mitogen activated protein kinase-activated protein kinase-2 MKNK2, MAPKAPK2, MAP3K2 AURKA 341/4885CCNA2 270/4885CDK2 29/4885
US-20090010927-A1 Mapkap kinase-2 as a specific target for blocking proliferation of P53-defective cells MAPKAPK2, MAPKAP1, MAP3K2 AURKA 562/4885CCNA2 270/4885CDK2 77/4885

“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.