Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4258276

Nc1ccc(CCNCCCn2nc3c(c2C(=O)O)CCc2cnccc2-3)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.32

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 3/20 0.32
ITGB1 P05556 2/20 0.32
ITGA5 P08648 2/20 0.32
ITGB3 P05106 1/20 0.32
ITGB2 P05107 1/20 0.32
ITGAV P06756 1/20 0.32
ITGA4 P13612 1/20 0.32
ITGAL P20701 1/20 0.32
CDK2 P24941 2/20 0.31
PDPK1 O15530 1/20 0.31
AURKA O14965 1/20 0.31
CCNA2 P20248 1/20 0.31
CCNA1 P78396 1/20 0.31
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

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 SCHEMBL4270585 0.94 CDK2 (0.33) ROCK2CDK2PDPK1AURKACCNA2
Trifluoroacetic Acid SCHEMBL4262255 0.93 ROCK2 (0.38) ROCK2CDK2AURKACCNA2CCNA1
Trifluoroacetic Acid SCHEMBL1656607 0.93 CDK2 (0.36) ROCK2CDK2PDPK1AURKACCNA2
Trifluoroacetic Acid SCHEMBL4271415 0.92 AURKA (0.32) ROCK2CDK2AURKACCNA2CCNA1
Trifluoroacetic Acid SCHEMBL4267640 0.92 CCNA2 (0.32) ROCK2CDK2AURKACCNA2CCNA1
Trifluoroacetic Acid SCHEMBL1655955 0.92 HTR5A (0.35) ROCK2CDK2AURKACCNA2CCNA1
Trifluoroacetic Acid SCHEMBL1655852 0.92 AURKA (0.32) ROCK2CDK2AURKACCNA2CCNA1
Trifluoroacetic Acid SCHEMBL4264410 0.92 ROCK2 (0.37) ROCK2CDK2AURKACCNA2CCNA1
Trifluoroacetic Acid SCHEMBL4259039 0.91 HTR5A (0.38) ROCK2CDK2PDPK1AURKACCNA2
Trifluoroacetic Acid SCHEMBL4267029 0.91 HTR5A (0.35) ROCK2CDK2AURKACCNA2CCNA1

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 ROCK2 538/4885ITGB1 4305/4885ITGA5 4066/4885
US-20140037755-A1 Mapkap Kinase-2 as a Specific Target for Blocking Proliferation of P53-Defective Cells MAPKAPK2, MAPKAP1, MAP3K2 ROCK2 571/4885ITGB1 4249/4885ITGA5 4540/4885
US-20040127492-A1 Cyclic pyrazoles for the inhibition of mitogen activated protein kinase-activated protein kinase-2 MKNK2, MAPKAPK2, MAP3K2 ROCK2 317/4885ITGB1 4283/4885ITGA5 3958/4885
US-20090010927-A1 Mapkap kinase-2 as a specific target for blocking proliferation of P53-defective cells MAPKAPK2, MAPKAP1, MAP3K2 ROCK2 571/4885ITGB1 4249/4885ITGA5 4540/4885

“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.