Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4255932

O=C(O)C(F)(F)F.O=C(O)c1c2c(nn1CCCNCC1CC1)-c1ccncc1CC2

nearest known ligand 0.34

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 4/20 0.34
NAMPT P43490 3/20 0.33
F2 P00734 3/20 0.32
PRSS1 P07477 2/20 0.32
PDPK1 O15530 1/20 0.31
CDK2 P24941 1/20 0.31
ROCK2 O75116 1/20 0.31
SSTR4 P31391 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 SCHEMBL6793561 0.90 CDK2 (0.32) PDPK1CDK2
Trifluoroacetic Acid SCHEMBL1655186 0.88 KDM4C (0.34) KDM4CNAMPTPDPK1CDK2
SCHEMBL4255937 0.87 NAMPT (0.32) NAMPTSSTR4
Trifluoroacetic Acid SCHEMBL4263955 0.87 ALDH1A1 (0.38) PDPK1CDK2ROCK2
Trifluoroacetic Acid SCHEMBL4270585 0.87 CDK2 (0.33) NAMPTPDPK1CDK2ROCK2
Trifluoroacetic Acid SCHEMBL1658085 0.87 ALDH1A1 (0.31) PDPK1CDK2
Trifluoroacetic Acid SCHEMBL1656607 0.86 CDK2 (0.36) KDM4CNAMPTPDPK1CDK2ROCK2
Trifluoroacetic Acid SCHEMBL6794286 0.86 CDK2 (0.36) NAMPTPDPK1CDK2
Trifluoroacetic Acid SCHEMBL4263119 0.86 ROCK2 (0.39) KDM4CNAMPTPDPK1CDK2ROCK2
Trifluoroacetic Acid SCHEMBL4256086 0.86 CDK2 (0.32) PDPK1CDK2

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 KDM4C 2176/4885NAMPT 681/4885F2 4678/4885
US-20140037755-A1 Mapkap Kinase-2 as a Specific Target for Blocking Proliferation of P53-Defective Cells MAPKAPK2, MAPKAP1, MAP3K2 KDM4C 4200/4885NAMPT 825/4885F2 4873/4885
US-20040127492-A1 Cyclic pyrazoles for the inhibition of mitogen activated protein kinase-activated protein kinase-2 MKNK2, MAPKAPK2, MAP3K2 KDM4C 3390/4885NAMPT 658/4885F2 2013/4885
US-20090010927-A1 Mapkap kinase-2 as a specific target for blocking proliferation of P53-defective cells MAPKAPK2, MAPKAP1, MAP3K2 KDM4C 4200/4885NAMPT 825/4885F2 4873/4885

“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.