Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4444665

NCCCn1nc2c(c1C(=O)O)CCc1cnc(-c3ccc4ccccc4c3)cc1-2.O=C(O)C(F)(F)F

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 8/20 0.41
PDPK1 O15530 2/20 0.41
SRC P12931 2/20 0.36
MAPKAPK2 P49137 2/20 0.35
PLK1 P53350 7/20 0.35
CCNA2 P20248 6/20 0.34
CCNA1 P78396 6/20 0.34
AURKA O14965 4/20 0.34
PIK3CD O00329 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CB P42338 1/20 0.32
PIK3CG P48736 1/20 0.32
PRKDC P78527 1/20 0.32
PLK3 Q9H4B4 2/20 0.32
PLK2 Q9NYY3 2/20 0.32

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 SCHEMBL4267121 0.91 MAPKAPK2 (0.44) CDK2PDPK1MAPKAPK2PLK1CCNA2
Trifluoroacetic Acid SCHEMBL4264447 0.89 CDK2 (0.37) CDK2PDPK1MAPKAPK2PLK1CCNA2
Trifluoroacetic Acid SCHEMBL4260275 0.88 CDK2 (0.38) CDK2PDPK1MAPKAPK2PLK1CCNA2
SCHEMBL4444669 0.88 CDK2 (0.38) CDK2PDPK1SRCMAPKAPK2PLK1
Trifluoroacetic Acid SCHEMBL6793949 0.87 MAPKAPK2 (0.41) CDK2PDPK1MAPKAPK2PLK1CCNA2
Trifluoroacetic Acid SCHEMBL6794531 0.87 KMO (0.39) CDK2PDPK1PLK1CCNA2CCNA1
Trifluoroacetic Acid SCHEMBL1655235 0.87 CDK2 (0.37) CDK2PDPK1MAPKAPK2PLK1CCNA2
Trifluoroacetic Acid SCHEMBL4267655 0.87 CDK2 (0.38) CDK2PDPK1PLK1CCNA2CCNA1
Trifluoroacetic Acid SCHEMBL1658124 0.87 CDK2 (0.37) CDK2PDPK1MAPKAPK2PLK1CCNA2
Trifluoroacetic Acid SCHEMBL6793062 0.86 GABRP (0.39) CDK2PDPK1MAPKAPK2PLK1

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 6 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-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-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 (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 CDK2 29/4885PDPK1 876/4885SRC 1206/4885
US-20140037755-A1 Mapkap Kinase-2 as a Specific Target for Blocking Proliferation of P53-Defective Cells MAPKAPK2, MAPKAP1, MAP3K2 CDK2 77/4885PDPK1 112/4885SRC 745/4885
US-20040127492-A1 Cyclic pyrazoles for the inhibition of mitogen activated protein kinase-activated protein kinase-2 MKNK2, MAPKAPK2, MAP3K2 CDK2 29/4885PDPK1 87/4885SRC 457/4885

“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.