Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4258570

O=C(O)C(F)(F)F.O=C1NCCn2nc3c(c21)CCc1cnc(NCc2ccccc2)cc1-3

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 10/20 0.40
CDK2 P24941 10/20 0.40
CCNA1 P78396 10/20 0.40
AURKA O14965 9/20 0.40
PLK1 P53350 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33
CDC7 O00311 1/20 0.33
CSNK1A1 P48729 1/20 0.33
CSNK1D P48730 1/20 0.33
GSK3B P49841 1/20 0.33
CSNK1G2 P78368 1/20 0.33
CDK9 P50750 2/20 0.33
PIM1 P11309 1/20 0.33
PIM2 Q9P1W9 1/20 0.33

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 SCHEMBL4263125 0.91 CCNA2 (0.43) CCNA2CDK2CCNA1AURKAPLK1
Trifluoroacetic Acid SCHEMBL6787950 0.86 PARP1 (0.35) CCNA2CDK2CCNA1AURKAPLK1
Trifluoroacetic Acid SCHEMBL6798826 0.85 IKBKB (0.37) AURKAPLK1L3MBTL1GSK3B
Trifluoroacetic Acid SCHEMBL4262642 0.81 MAPKAPK2 (0.33) CCNA2CDK2CCNA1AURKAPLK1
Trifluoroacetic Acid SCHEMBL4256992 0.80 MAPKAPK2 (0.36) CCNA2CDK2CCNA1AURKAPLK1
Trifluoroacetic Acid SCHEMBL6794975 0.80 PIM1 (0.36) CCNA2CDK2CCNA1AURKAPLK1
Trifluoroacetic Acid SCHEMBL4256994 0.80 MAPKAPK2 (0.36) CCNA2CDK2CCNA1AURKAPLK1
SCHEMBL4271434 0.80 PIM1 (0.38) CCNA2CDK2CCNA1AURKAPLK1
Trifluoroacetic Acid SCHEMBL4270922 0.80 MAPKAPK2 (0.36) CDC7
Trifluoroacetic Acid SCHEMBL4267636 0.80 AR (0.32)

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 CCNA2 11/4885CDK2 29/4885CCNA1 9/4885
US-20140037755-A1 Mapkap Kinase-2 as a Specific Target for Blocking Proliferation of P53-Defective Cells MAPKAPK2, MAPKAP1, MAP3K2 CCNA2 270/4885CDK2 77/4885CCNA1 327/4885
US-20040127492-A1 Cyclic pyrazoles for the inhibition of mitogen activated protein kinase-activated protein kinase-2 MKNK2, MAPKAPK2, MAP3K2 CCNA2 270/4885CDK2 29/4885CCNA1 527/4885
US-20090010927-A1 Mapkap kinase-2 as a specific target for blocking proliferation of P53-defective cells MAPKAPK2, MAPKAP1, MAP3K2 CCNA2 270/4885CDK2 77/4885CCNA1 327/4885

“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.