Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4267121

NCCCn1nc2c(c1C(=O)O)CCc1cnc(-c3cnc4ccccc4c3)cc1-2.O=C(O)C(F)(F)F

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 2/20 0.44
CDK2 P24941 9/20 0.42
PDPK1 O15530 2/20 0.42
MTOR P42345 2/20 0.36
HDAC1 Q13547 2/20 0.36
PLK1 P53350 8/20 0.35
CCNA2 P20248 7/20 0.35
CCNA1 P78396 7/20 0.35
AURKA O14965 5/20 0.35
AKR1C3 P42330 2/20 0.34
AKR1C2 P52895 2/20 0.34
PLK3 Q9H4B4 3/20 0.32
PLK2 Q9NYY3 3/20 0.32
CDK4 P11802 1/20 0.32
CCND3 P30281 1/20 0.32
TTK P33981 1/20 0.32
CDK6 Q00534 1/20 0.32
SLC22A12 Q96S37 1/20 0.32
GPER1 Q99527 1/20 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 SCHEMBL4444665 0.91 CDK2 (0.41) MAPKAPK2CDK2PDPK1PLK1CCNA2
SCHEMBL4267125 0.89 MAPKAPK2 (0.39) MAPKAPK2CDK2PDPK1MTORHDAC1
Hydrochloric Acid SCHEMBL4263089 0.88 CDK2 (0.44) MAPKAPK2CDK2PDPK1MTORHDAC1
Hydrochloric Acid SCHEMBL1655155 0.86 HDAC1 (0.42) MAPKAPK2CDK2PDPK1MTORHDAC1
Trifluoroacetic Acid SCHEMBL4260275 0.85 CDK2 (0.38) MAPKAPK2CDK2PDPK1PLK1CCNA2
SCHEMBL1660747 0.85 MAPKAPK2 (0.43) MAPKAPK2CDK2MTORHDAC1PLK1
Trifluoroacetic Acid SCHEMBL1658124 0.85 CDK2 (0.37) MAPKAPK2CDK2PDPK1PLK1CCNA2
Trifluoroacetic Acid SCHEMBL4264447 0.85 CDK2 (0.37) MAPKAPK2CDK2PDPK1PLK1CCNA2
Trifluoroacetic Acid SCHEMBL6794531 0.84 KMO (0.39) CDK2PDPK1HDAC1PLK1CCNA2
Trifluoroacetic Acid SCHEMBL4263044 0.84 CDK2 (0.40) CDK2PDPK1HDAC1PLK1CCNA2

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 10 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

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 MAPKAPK2 1486/4885CDK2 29/4885PDPK1 876/4885
US-20140037755-A1 Mapkap Kinase-2 as a Specific Target for Blocking Proliferation of P53-Defective Cells MAPKAPK2, MAPKAP1, MAP3K2 MAPKAPK2 1/4885CDK2 77/4885PDPK1 112/4885
US-20040127492-A1 Cyclic pyrazoles for the inhibition of mitogen activated protein kinase-activated protein kinase-2 MKNK2, MAPKAPK2, MAP3K2 MAPKAPK2 2/4885CDK2 29/4885PDPK1 87/4885
US-20090010927-A1 Mapkap kinase-2 as a specific target for blocking proliferation of P53-defective cells MAPKAPK2, MAPKAP1, MAP3K2 MAPKAPK2 1/4885CDK2 77/4885PDPK1 112/4885

“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.